SCHEMBL8385140

SCHEMBL8385140

Cc1ccc(-c2cnc(C#N)n2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
NTRK1 P04629 1/20 0.41
PIM1 P11309 1/20 0.41
ACVR1 Q04771 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PTGS2 P35354 1/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL25353994 0.68 KMT2A (0.43) MAOAMAOBMAPK1ALDH1A1KDM4E
SCHEMBL4748476 0.66 ALDH1A1 (0.52) NTRK1PIM1ACVR1CYP11B1CYP11B2
SCHEMBL11752921 0.65 ALDH1A1 (0.50) NTRK1PIM1ACVR1CYP11B1CYP11B2
SCHEMBL17754184 0.63 ALDH1A1 (0.43) NTRK1PIM1ACVR1CYP11B1CYP11B2
SCHEMBL11751395 0.63 ALDH1A1 (0.43) NTRK1PIM1ACVR1CYP11B1CYP11B2
SCHEMBL21611244 0.62 CYP1A2 (0.35) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20075887 0.62 GSK3B (0.48) MAPK1MEN1KMT2AIDO1FLT3
SCHEMBL17795213 0.62 TNF (0.48) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL14394534 0.61 NPC1 (0.44) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL15355017 0.61 NPC1 (0.45) NTRK1PIM1ACVR1PTGS2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869683-A Processes for producing 1-substituted-2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA, LTD. (JP) 1999-02-09 US disclosed
EP-0705823-A1 Process for producing 1-substituted-2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA LTD. (JP) 1996-04-10 EP disclosed