SCHEMBL7466596

SCHEMBL7466596

CCN(CCO)c1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
KMT2A Q03164 6/20 0.45
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 5/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
GFER P55789 2/20 0.43
CYP2A6 P11509 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PSMD14 O00487 2/20 0.42
MITF O75030 1/20 0.42
HCRTR2 O43614 1/20 0.40
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HBB P68871 1/20 0.39
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL5058946 0.91 KMT2A (0.54) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL16746567 0.89 CA2 (0.43) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL16983221 0.85 KMT2A (0.43) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL63804 0.85 ALDH1A1 (0.52) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL8038944 0.84 ALDH1A1 (0.50) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL8039657 0.82 ALDH1A1 (0.54) MAPTKMT2AALDH1A1MEN1GAA
Hydrochloric Acid SCHEMBL8040784 0.82 KMT2A (0.49) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL7468442 0.82 CYP2A6 (0.42) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL8028832 0.82 KMT2A (0.42) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL10189317 0.81 ALDH1A1 (0.41) MAPTKMT2AALDH1A1MEN1GAA

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
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed