SCHEMBL10388317

SCHEMBL10388317

CC(=O)c1[c]cccc1Br

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HSD11B1 P28845 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1180898 0.81 PRNP (0.34) HSD11B1NPC1RAB9AALDH1A1
SCHEMBL7574870 0.79 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3063032 0.77 KDM4E (0.35) THRBSMN1; SMN2ALDH1A1
SCHEMBL3956163 0.72 CA1 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL27766424 0.72 GABRA1 (0.39) SMN1; SMN2
SCHEMBL5175506 0.72 KDM4E (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8364149 0.71 CA5A (0.32) THRB
SCHEMBL6975365 0.71 KDM4E (0.34) THRBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27855180 0.71 MAOA (0.38) ALDH1A1
SCHEMBL9870004 0.69 TDP1 (0.42) THRBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1022632-C Carboxamide compounds, process for preparing same and pharmaceutical composition containing same OTSUKA PHARMA CO LTD (JP) 1993-11-03 CN disclosed
US-4971957-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, BENZENECARBOXAMIDOPHOSPHONATES OR BENZENETHIOCARBOXAMIDOPHOSPHONATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-11-20 US disclosed
CN-1040029-A Carboxylic acid amide compounds and preparation method thereof and contain the pharmaceutical composition of this carboxylic acid amine compound OTSUKA PHARMA CO LTD (JP) 1990-02-28 CN disclosed