SCHEMBL7445525

SCHEMBL7445525

COc1ccc2c(c1)[nH]c(=O)n2C(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
MAOB P27338 1/20 0.50
PGR P06401 7/20 0.47
HAVCR2 Q8TDQ0 1/20 0.46
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CCR4 P51679 1/20 0.42
CASR P41180 2/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL7367213 0.88 MAOB (0.64) POLBMAOBPGRHAVCR2KDM4E
SCHEMBL30930127 0.88 MAOB (0.64) POLBMAOBPGRHAVCR2KDM4E
SCHEMBL9741963 0.85 KDM4E (0.43) POLBHAVCR2KDM4EGAAALDH1A1
SCHEMBL8950204 0.81 ABCB1 (0.41) POLBPGRGAAMEN1ALDH1A1
SCHEMBL12793653 0.79 POLB (0.62) POLBMAOBPGRALDH1A1MAPT
SCHEMBL8349538 0.79 POLB (0.62) POLBMAOBPGRALDH1A1MAPT
SCHEMBL1857924 0.79 LMNA (0.57) MAOBKDM4EMEN1ALDH1A1MAPT
SCHEMBL7371675 0.78 MAPT (0.67) POLBMAOBPGRHAVCR2MEN1
SCHEMBL4084714 0.78 PGR (0.64) POLBMAOBPGRALDH1A1MAPT
SCHEMBL24815335 0.77 POLB (0.64) POLBPGRKDM4EGAAMEN1

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
WO-1994000454-A1 BENZIMIDAZOLE COMPOUNDS G.D. SEARLE & CO. (US) 1994-01-06 WO disclosed