SCHEMBL4456344

SCHEMBL4456344

O=C(O)Nc1cccc(-n2nccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.46
POLB P06746 4/20 0.46
SYK P43405 7/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
GPR35 Q9HC97 1/20 0.42
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
HCRTR1 O43613 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNK3 O14649 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL22554225 0.76 NOTUM (0.58) POLBSYKNPC1RAB9AKMT2A
SCHEMBL4892738 0.76 AOC2 (0.50) POLBNPC1RAB9AGPR35MAPT
SCHEMBL11858223 0.75 GPR35 (0.67) POLBGPR35MAPTKMT2AMEN1
SCHEMBL4457861 0.75 S1PR1 (0.47) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL14981681 0.75 SYK (0.41) ACLYSYK
SCHEMBL23214242 0.74 S1PR1 (0.50) POLBSYKMAPTCYP3A4ALDH1A1
SCHEMBL31133426 0.74 KMT2A (0.54) POLBMAPTKMT2AMEN1USP2
SCHEMBL25319314 0.73 MAPT (0.68) POLBNPC1RAB9AMAPTKMT2A
SCHEMBL14961833 0.73 ACLY (0.39) ACLYPOLBSYKNPC1RAB9A
SCHEMBL14981480 0.72 SYK (0.39) ACLYSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed