SCHEMBL26071091

SCHEMBL26071091

Cc1ccc(COc2cccc(/C(N)=C(\C#N)NN)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.44
MAOB P27338 1/20 0.41
SMPD1 P17405 3/20 0.40
GPR132 Q9UNW8 4/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GUSB P08236 1/20 0.38

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
SCHEMBL26071048 0.85 F2 (0.48) F2MAOBNPC1ALDH1A1RAB9A
SCHEMBL26070859 0.82 MAOB (0.53) F2MAOBNPC1ALDH1A1RAB9A
SCHEMBL26071073 0.82 SMPD1 (0.60) F2MAOBSMPD1ALDH1A1RAB9A
SCHEMBL26070590 0.82 NR4A2 (0.56) F2MAOBSMPD1
SCHEMBL26071030 0.81 F2 (0.48) F2MAOBSMPD1GUSB
SCHEMBL26070983 0.81 F2 (0.48) F2SMPD1GUSB
SCHEMBL26071080 0.81 F2 (0.43) F2SMPD1NPC1ALDH1A1RAB9A
SCHEMBL26071008 0.79 PFKFB3 (0.39) F2SMN1; SMN2
SCHEMBL26071034 0.79 F2 (0.49) F2MAOBSMPD1NPC1ALDH1A1
SCHEMBL26070860 0.79 SMN1; SMN2 (0.52) F2MAOBNPC1ALDH1A1RAB9A

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed