SCHEMBL4701899

SCHEMBL4701899

O=C(O)c1c(F)n(C2CC2)c2ccccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PADI4 Q9UM07 1/20 0.39
P2RX4 Q99571 1/20 0.39
GLA P06280 1/20 0.39
EGFR P00533 1/20 0.36
AGTR1 P30556 3/20 0.36
LMNA P02545 2/20 0.36
CRHBP P24387 3/20 0.36
CRHR2 Q13324 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
XBP1 P17861 1/20 0.34

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
SCHEMBL27373821 0.88 GRM4 (0.44) KDM4EMEN1KMT2AALDH1A1P2RX4
SCHEMBL28859816 0.87 MEN1 (0.46) KDM4EMEN1KMT2AALDH1A1PADI4
SCHEMBL27494620 0.83 KDM4E (0.38) KDM4EMEN1KMT2AALDH1A1P2RX4
SCHEMBL27692949 0.83 KDM4E (0.45) KDM4EMEN1KMT2AALDH1A1PADI4
SCHEMBL9593010 0.81 MAT2A (0.45) MEN1KMT2AALDH1A1
SCHEMBL5986028 0.80 KDM4E (0.40) KDM4EMEN1KMT2AALDH1A1PADI4
SCHEMBL27291990 0.79 ELANE (0.40) DDB1CRBN
SCHEMBL10628973 0.77 KDM4E (0.40) KDM4EMEN1KMT2AALDH1A1PADI4
SCHEMBL27286663 0.77 GLA (0.51) KDM4EALDH1A1P2RX4GLAPOLB
SCHEMBL5273479 0.76 RAD52 (0.35) MEN1KMT2AALDH1A1TSHRSMN1; SMN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105985335-B Hydroxamic acid compound, preparation method and its usage 成都地奥九泓制药厂 2018-06-08 CN disclosed
EP-1910362-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1910380-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1910385-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019345-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
CN-1014789-B PROCESS FOR PREPARING REPLACABLE BRIDGED HEAVY NITROGEN BICYCLOALKYL CARBOSTYRIL CARBOXYLIC ACID PFIZER (US) 1991-11-20 CN disclosed
EP-0341493-A2 Optically active pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-11-15 EP disclosed
EP-0309537-A1 PROCESS FOR THE PREPARATION OF QUINOLINE CARBOXYLIC ACIDS. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1989-04-05 EP disclosed
WO-1988007993-A1 PROCESS FOR THE PREPARATION OF QUINOLINE CARBOXYLIC ACIDS Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1988-10-20 WO disclosed
CN-86106385-A The bridge-type diazonium bicyclic alkyl quinolone carboxylic acid that replaces 1987-06-03 CN disclosed