SCHEMBL6273142

SCHEMBL6273142

C=C(C)c1ccnc(/C=C/c2ccc(C#N)cc2)c1OCc1cccc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.39
RAB9A P51151 1/20 0.39
MAOB P27338 4/20 0.37
APP P05067 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
CCR5 P51681 1/20 0.35
SMPD1 P17405 1/20 0.35

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
SCHEMBL6273143 1.00 SNCA (0.39) SNCARAB9AMAOBAPPKDM4E
SCHEMBL6272573 0.80 ABCB1 (0.44) RAB9AMAOBMAPT
SCHEMBL6272578 0.80 ABCB1 (0.44) RAB9AMAOBMAPT
SCHEMBL6272560 0.79 THRB (0.45) RAB9AMAOBKDM4ENPC1ALDH1A1
SCHEMBL6278229 0.79 CD74 (0.33) RAB9AMAOBNPC1ALDH1A1MAPT
SCHEMBL6274709 0.76 MAPT (0.46) MAOBMAPT
SCHEMBL6274180 0.76 THRB (0.42) RAB9AMAOBKDM4ENPC1ALDH1A1
SCHEMBL6274175 0.76 THRB (0.42) RAB9AMAOBKDM4ENPC1ALDH1A1
SCHEMBL6275956 0.71 NPC1 (0.46) RAB9AMAOBAPPNPC1POLB
SCHEMBL6275960 0.71 NPC1 (0.46) RAB9AMAOBAPPNPC1POLB

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-2005116010-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2005-12-08 WO disclosed