SCHEMBL4058795

SCHEMBL4058795

O=C(O)c1cc2ccccc2nc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MGAM O43451 2/20 0.47
IDO1 P14902 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
ACHE P22303 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 1/20 0.45
PDE10A Q9Y233 1/20 0.45
PTPN1 P18031 1/20 0.45
TSHR P16473 1/20 0.44
NAPRT Q6XQN6 1/20 0.43
HTT P42858 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7450706 0.98 IKBKB (0.49) IKBKBNPC1RAB9AMGAMIDO1
Water SCHEMBL27790789 0.91 IKBKB (0.43) IKBKBNPC1RAB9AMGAMIDO1
SCHEMBL19329179 0.84 IKBKB (0.67) IKBKBMGAMIDO1ALDH1A1KDM4E
SCHEMBL28488614 0.83 IKBKB (0.45) IKBKBNPC1RAB9AMGAMIDO1
SCHEMBL8807038 0.81 SMN1; SMN2 (0.56) IKBKBNPC1RAB9AMGAMIDO1
SCHEMBL30034075 0.79 ALDH1A1 (0.61) IKBKBNPC1RAB9AMGAMIDO1
SCHEMBL70017 0.79 ALDH1A1 (0.61) IKBKBNPC1RAB9AMGAMIDO1
SCHEMBL352221 0.79 IKBKB (0.51) IKBKBNPC1RAB9AMGAMIDO1
SCHEMBL31133499 0.79 IKBKB (0.51) IKBKBNPC1RAB9AMGAMIDO1
Hydrochloric Acid SCHEMBL9622111 0.78 ALDH1A1 (0.59) IKBKBNPC1RAB9AMGAMIDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1177834-C Dihydroxyhexanoic acid derivatives �Ʒ� 2004-12-01 CN claimed
CN-1290255-A Dihydroxyhexanoic acid derivatives PFIZER PROD INC (US) 2001-04-04 CN claimed
CN-1248968-A Heteroaryl-hexanoic acid amide derivatives, their preparation and their use as selective inhibitors of MIP-1-alpha binding to its CCRI receptor PFIZER (US) 2000-03-29 CN claimed
US-5442070-A Derivatives of fluoro-quinoline carboxylic-3-acid and preparation therefor LABORATOIRE ROGER BELLON (FR) 1995-08-15 US claimed
US-20130225412-A1 SILICON NANOCARRIER FOR DELIVERY OF DRUG, PESTICIDES AND HERBICIDES , AND FOR WASTE WATER TREATMENT SARDARI LODRICHE SOROUSH (IR) 2013-08-29 US disclosed
CN-101830921-A Novel method for activating 7-halogen of fluoroquinoline-3carboxylic acid and application thereof in forming side chain with secondary amine by using condensation LIANYUNGANG JINKANG PHARMACEUTICAL TECHNOLOGY CO LTD 2010-09-15 CN disclosed
CN-101830921-A Novel method for activating 7-halogen of fluoroquinoline-3carboxylic acid and application thereof in forming side chain with secondary amine by using condensation LIANYUNGANG JINKANG PHARMACEUTICAL TECHNOLOGY CO LTD 2010-09-15 CN disclosed
CN-101830921-A Novel method for activating 7-halogen of fluoroquinoline-3carboxylic acid and application thereof in forming side chain with secondary amine by using condensation LIANYUNGANG JINKANG PHARMACEUTICAL TECHNOLOGY CO LTD 2010-09-15 CN disclosed
EP-2079809-A1 WATER BASED PRINTING INKS FOR NONWOVEN SUBSTRATES Sun Chemical Corporation (US) 2009-07-22 EP disclosed
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP disclosed
WO-2008060855-A1 WATER BASED PRINTING INKS FOR NONWOVEN SUBSTRATES SUN CHEMICAL CORPORATION (US) 2008-05-22 WO disclosed
CN-1681479-A Pharmaceutical compositions of semi-ordered drugs and polymers PFIZER PROD INC (US) 2005-10-12 CN disclosed
CN-1290255-A Dihydroxyhexanoic acid derivatives PFIZER PROD INC (US) 2001-04-04 CN disclosed
CN-1248968-A Heteroaryl-hexanoic acid amide derivatives, their preparation and their use as selective inhibitors of MIP-1-alpha binding to its CCRI receptor PFIZER (US) 2000-03-29 CN disclosed
CN-1042632-C Novel pyridone carboxylic acid derivatives NO 1 SUGAR REFINING CO LTD (KR) 1999-03-24 CN disclosed
US-5442070-A Derivatives of fluoro-quinoline carboxylic-3-acid and preparation therefor LABORATOIRE ROGER BELLON (FR) 1995-08-15 US disclosed
CN-1098103-A Novel pyridone carboxylic acid derivatives CHEIL FOODS & CHEM (KR) 1995-02-01 CN disclosed
EP-0538100-A1 New fluoro-quinolin-3-carboxylic acid derivatives and their preparation LABORATOIRE ROGER BELLON (FR) 1993-04-21 EP disclosed
EP-0538100-A1 New fluoro-quinolin-3-carboxylic acid derivatives and their preparation LABORATOIRE ROGER BELLON (FR) 1993-04-21 EP disclosed
EP-0140116-B1 A 6-FLUORO-1,4-DIHYDRO-4-OXO-7-SUBSTITUTED PIPERAZINYL-QUINOLINE-3-CARBOXYLIC ACID DERIVATIVE AND THE METHOD FOR PREPARING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1988-05-25 EP disclosed