SCHEMBL3973342

SCHEMBL3973342

CNCCn1ncc2ccccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
MITF O75030 1/20 0.58
PKM P14618 1/20 0.58
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 4/20 0.46
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
APOBEC3G Q9HC16 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42

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 SCHEMBL9690434 0.98 NPC1 (0.57) NPC1RAB9AMITFPKMKMT2A
SCHEMBL9689662 0.91 NPC1 (0.56) NPC1RAB9AMITFPKMKMT2A
SCHEMBL9689586 0.85 NPC1 (0.56) NPC1RAB9AMITFPKMKMT2A
SCHEMBL10044417 0.83 NPC1 (0.62) NPC1RAB9AMITFPKMKMT2A
SCHEMBL6216387 0.81 NPC1 (0.64) NPC1RAB9AMITFPKMKMT2A
SCHEMBL13861649 0.80 NPC1 (0.59) NPC1RAB9AMITFPKMKMT2A
SCHEMBL7862743 0.80 NPC1 (0.62) NPC1RAB9AMITFPKMKMT2A
SCHEMBL9870217 0.80 NPC1 (0.62) NPC1RAB9AMITFPKMKMT2A
SCHEMBL11611242 0.79 NPC1 (0.57) NPC1RAB9AMITFPKMKMT2A
SCHEMBL11759940 0.79 NPC1 (0.58) NPC1RAB9AMITFPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009051504-A1 BENZO- AND PYRIDOPYRIDAZINONES WITH ANALGESIC AND ANTIINFLAMMATORY ACTIVITY UNIWERSYTET LODSKI (PL) 2009-04-23 WO disclosed
WO-2009051504-A1 BENZO- AND PYRIDOPYRIDAZINONES WITH ANALGESIC AND ANTIINFLAMMATORY ACTIVITY UNIWERSYTET LODSKI (PL) 2009-04-23 WO disclosed
US-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US disclosed
US-5114952-A Side effect reduction PFIZER INC. (US) 1992-05-19 US disclosed
US-4990509-A Sulfonamide anti-arrhythmic agents PFIZER INC. (US) 1991-02-05 US disclosed
US-4863948-A Isoindolinone sulfonamide anti-arrhythmic agents PFIZER, INC. (US) 1989-09-05 US disclosed
EP-0242173-A1 Antiarrhythmic agents Pfizer Limited (GB) 1987-10-21 EP disclosed