SCHEMBL8705447

SCHEMBL8705447

CC(=O)CSc1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 3/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
F13A1 P00488 1/20 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
SCHEMBL1703413 0.82 CYP1A2 (0.61) HTR7MAOAMAOBCYP1A2ALDH1A1
SCHEMBL30421706 0.82 CYP1A2 (0.61) HTR7MAOAMAOBCYP1A2ALDH1A1
SCHEMBL6299141 0.81 HTR7 (0.46) HTR7MAOAMAOBCYP1A2ALDH1A1
SCHEMBL30184557 0.81 HTR7 (0.46) HTR7MAOAMAOBCYP1A2ALDH1A1
SCHEMBL30421739 0.81 HTR7 (0.44) HTR7MAOAMAOBCYP1A2ALDH1A1
SCHEMBL15916105 0.81 SMN1; SMN2 (0.52) HTR7MAOAMAOBCYP1A2ALDH1A1
SCHEMBL27044922 0.78 CYP1A2 (0.43) CYP1A2ALDH1A1MAPTHSD17B10POLB
SCHEMBL27044923 0.78 HSD17B10 (0.62) CYP1A2ALDH1A1MAPTHSD17B10POLB
SCHEMBL27044925 0.78 NOTUM (0.50) CYP1A2ALDH1A1MAPTHSD17B10POLB
SCHEMBL23149012 0.78 HTR7 (0.42) HTR7MAOAMAOBCYP1A2ALDH1A1

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-1998033793-A1 α-AZACYCLOMETHYL BENZOTHIOPHENE AND α-AZACYCLOMETHYL BENZOFURANE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION SANOFI-SYNTHELABO (FR) 1998-08-06 WO disclosed