SCHEMBL11784591

SCHEMBL11784591

Cc1ccc2[nH]c(NC#N)nc2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.44
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
OPRM1 P35372 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 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
SCHEMBL11782292 0.81 MGAM (0.46) CBFBNPC1RAB9AKDM4EALDH1A1
SCHEMBL16342366 0.81 CBFB (0.45) CBFBMAPTL3MBTL1ADAMTS5EGLN1
SCHEMBL12724890 0.79 CBFB (0.44) CBFBMAPTADAMTS5EGLN1OPRM1
SCHEMBL6985345 0.74 CBFB (0.40) CBFBMAPTADAMTS5EGLN1OPRM1
SCHEMBL353026 0.74 CBFB (0.51) CBFBMAPTADAMTS5EGLN1OPRM1
Hydrochloric Acid SCHEMBL11784418 0.73 EGLN1 (0.40) CBFBMAPTADAMTS5EGLN1OPRM1
SCHEMBL4386791 0.71 CBFB (0.49) CBFBMAPTADAMTS5EGLN1OPRM1
SCHEMBL1192237 0.71 NPC1 (0.50) CBFBMAPTADAMTS5EGLN1OPRM1
SCHEMBL9144161 0.71 CBFB (0.49) CBFBMAPTADAMTS5EGLN1OPRM1
SCHEMBL2541920 0.71 CBFB (0.49) CBFBMAPTMEN1KMT2AADAMTS5

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-3935314-A Anti-hypertensive compositions of benzimidazole derivatives BEECHAM GROUP LIMITED (EN) 1976-01-27 US claimed
US-3935314-A Anti-hypertensive compositions of benzimidazole derivatives BEECHAM GROUP LIMITED (EN) 1976-01-27 US disclosed