SCHEMBL8744692

SCHEMBL8744692

CCc1ccc(-c2c[nH]c(C#N)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
METAP2 P50579 1/20 0.42
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 5/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PDGFRB P09619 1/20 0.38
CA12 O43570 1/20 0.37
ALPL P05186 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 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
SCHEMBL8744714 0.83 CTSS (0.54) CTSSCTSKNISCHNOTUM
SCHEMBL8744743 0.78 MCL1 (0.41) METAP2RAB9ANPC1LMNASMN1; SMN2
SCHEMBL8744752 0.78 ERBB2 (0.41) METAP2RAB9ANPC1LMNASMN1; SMN2
SCHEMBL8744832 0.78 MCL1 (0.42) RAB9AHPGDKMT2AMEN1MAPT
SCHEMBL7432291 0.78 ADORA2A (0.41) RAB9ALMNASMN1; SMN2HPGDKMT2A
SCHEMBL8744693 0.76 CCNC (0.47) RAB9ANPC1LMNAMAPTCYP1A2
SCHEMBL14039561 0.76 METAP2 (0.47) METAP2RAB9ANPC1LMNASMN1; SMN2
SCHEMBL27559780 0.75 METAP2 (0.46) METAP2RAB9ANPC1LMNASMN1; SMN2
SCHEMBL8744687 0.74 KIF11 (0.47) CTSSCTSKNISCH
SCHEMBL11048359 0.72 METAP2 (0.44) METAP2RAB9ANPC1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0653421-B1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA (JP) 1997-01-15 EP disclosed
US-5552557-A Process for preparing 2-cyanoimidazole compounds by reaction of an amino ketone compound ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-09-03 US disclosed
EP-0653421-A1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA LTD. (JP) 1995-05-17 EP disclosed