SCHEMBL13373247

SCHEMBL13373247

CNC=CC=CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ARG2 P78540 1/20 0.42
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
ATM Q13315 1/20 0.38
CALM1 P0DP23 1/20 0.37
MAPK1 P28482 1/20 0.37
TOP1 P11387 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
SLC18A2 Q05940 1/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 2/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL13373175 0.85 MAOB (0.61) MAOBCA1CA2ARG2KDM4E
SCHEMBL21637548 0.85 MAOB (0.61) MAOBCA1CA2ARG2KDM4E
SCHEMBL628859 0.82 MAOB (0.78) MAOBCA1CA2ARG2TAAR1
SCHEMBL462351 0.82 MAOB (0.78) MAOBCA1CA2ARG2TAAR1
SCHEMBL27558493 0.80 MAOB (0.74) MAOBCA1CA2ARG2TAAR1
SCHEMBL30075910 0.80 MAOB (0.74) MAOBCA1CA2ARG2TAAR1
SCHEMBL22423650 0.77 KMT2A (0.50) MAOBCA1CA2ARG2KDM4E
SCHEMBL6339808 0.77 MAOB (0.61) MAOBCA1CA2ARG2KDM4E
SCHEMBL15466749 0.77 MAOB (0.61) MAOBCA1CA2ARG2KDM4E
SCHEMBL15466750 0.77 MAOB (0.61) MAOBCA1CA2ARG2KDM4E

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
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed