SCHEMBL9689593

SCHEMBL9689593

COc1ccc(O)c(CNc2ccc(O)c(O)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.68
CA2 P00918 3/20 0.68
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
APP P05067 5/20 0.54
EGFR P00533 5/20 0.53
ARG1 P05089 1/20 0.51
SYK P43405 1/20 0.50
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL5713558 0.90 CA1 (0.64) CA1CA2LMNAGAAMAOA
SCHEMBL10887875 0.86 CA1 (0.66) CA1CA2LMNAGAAMAOA
SCHEMBL10886823 0.84 CA1 (0.72) CA1CA2LMNAGAAMAOA
SCHEMBL10890249 0.83 CA1 (0.63) CA1CA2LMNAGAAMAOA
SCHEMBL25168125 0.81 CA1 (0.64) CA1CA2LMNAGAAMAOA
SCHEMBL10890059 0.81 CA1 (0.64) CA1CA2LMNAGAAMAOA
SCHEMBL7162593 0.79 CA1 (0.64) CA1CA2LMNAGAAMAOA
SCHEMBL5714226 0.79 MAPT (0.60) CA1CA2LMNAGAAPOLB
SCHEMBL22624720 0.78 LMNA (0.55) CA1CA2LMNAGAAMAOA
SCHEMBL15677689 0.77 CA1 (0.61) CA1CA2LMNAGAAAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP disclosed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO disclosed