SCHEMBL3673769

SCHEMBL3673769

CCc1cc(Cc2cc(CC)c(C)c(Br)c2N)c(N)c(Br)c1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP7 P55210 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
NOS3 P29474 2/20 0.34
NOS2 P35228 2/20 0.34
POLB P06746 2/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL3673501 0.84 ALDH1A1 (0.36) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3669801 0.81 SKP2 (0.40) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3672623 0.79 GABRA1 (0.37) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3670394 0.78 ALDH1A1 (0.35) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3675876 0.78 ALDH1A1 (0.35) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL15256860 0.73 ALDH1A1 (0.44) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL29568739 0.73 ALDH1A1 (0.44) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL20210748 0.73 ALDH1A1 (0.44) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL43312 0.72 ALDH1A1 (0.47) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL9579163 0.71 ALDH1A1 (0.39) ALDH1A1CYP1A2ALOX15CASP7HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed