SCHEMBL14975683

SCHEMBL14975683

Clc1ncccc1C#Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.60
GRM5 P41594 4/20 0.50
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
APP P05067 1/20 0.46
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL18342015 0.84 FFAR1 (0.56) FFAR1GRM5NPC1MAPTKMT2A
SCHEMBL18741024 0.79 FFAR1 (0.54) FFAR1GRM5NPC1SMN1; SMN2KDM4E
SCHEMBL30751147 0.79 FFAR1 (0.54) FFAR1GRM5NPC1SMN1; SMN2KDM4E
SCHEMBL18952028 0.77 MAPT (0.57) FFAR1GRM5NPC1SMN1; SMN2KDM4E
SCHEMBL4333501 0.77 NPC1 (0.47) FFAR1GRM5NPC1SMN1; SMN2KDM4E
SCHEMBL21645908 0.77 NPC1 (0.43) FFAR1GRM5NPC1SMN1; SMN2KDM4E
SCHEMBL18188087 0.76 GRM5 (0.53) FFAR1GRM5NPC1SMN1; SMN2ALDH1A1
SCHEMBL14976485 0.74 APP (0.48) FFAR1GRM5MAPTAPPGRM4
SCHEMBL1541679 0.74 KMT2A (0.46) FFAR1GRM5NPC1SMN1; SMN2MEN1
SCHEMBL3251978 0.74 GRM5 (0.55) FFAR1GRM5NPC1SMN1; SMN2KDM4E

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-2013078254-A1 BICYCLIC HETEROARYL DERIVATIVES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-05-30 WO disclosed