SCHEMBL19208975

SCHEMBL19208975

COc1cc(Br)cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.50
NQO1 P15559 1/20 0.50
MAPT P10636 4/20 0.47
MAOB P27338 1/20 0.44
HPGD P15428 4/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 1/20 0.41
ALOX15 P16050 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RXFP1 Q9HBX9 2/20 0.40

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
SCHEMBL20974675 0.80 NQO2 (0.37) NQO2NQO1MAPTMAOBHPGD
SCHEMBL8197756 0.79 NQO1 (0.54) NQO2NQO1MAPTHPGDLMNA
SCHEMBL6312903 0.78 KDM4E (0.51) NQO2NQO1HPGDLMNASMN1; SMN2
SCHEMBL1402531 0.78 NQO1 (0.52) NQO2NQO1MAPTHPGDLMNA
SCHEMBL7835437 0.78 CYP2A6 (0.57) NQO2NQO1MAPTHPGDLMNA
SCHEMBL443362 0.78 NQO1 (0.57) NQO2NQO1MAPTHPGDLMNA
SCHEMBL29370537 0.78 NQO1 (0.57) NQO2NQO1MAPTHPGDLMNA
SCHEMBL1128095 0.77 NQO1 (0.56) NQO2NQO1MAPTHPGDLMNA
SCHEMBL7835432 0.76 NQO1 (0.50) NQO2NQO1MAPTHPGDLMNA
SCHEMBL8197648 0.76 NQO1 (0.50) NQO2NQO1MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591128-A Direct cross-coupling method of aryl sulfur salt and aryl bromide 南京工业大学 2022-06-07 CN claimed
CN-114591128-A Direct cross-coupling method of aryl sulfur salt and aryl bromide 南京工业大学 2022-06-07 CN disclosed
US-11335846-B2 Molecularly doped piezoelectric foams University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-05-17 US disclosed
US-20190036005-A1 MOLECULARLY DOPED PIEZOELECTRIC FOAMS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-01-31 US disclosed
WO-2017136277-A1 MOLECULARLY DOPED PIEZOELECTRIC FOAMS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-08-10 WO disclosed
CN-101466698-A Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK & CO INC (US) 2009-06-24 CN disclosed