SCHEMBL3673510

SCHEMBL3673510

Cc1ccc(CN)c(CN)c1Br

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL21650283 0.80 ALDH1A1 (0.37) TAAR1ALDH1A1CYP1A2ALOX15CASP7
SCHEMBL8897260 0.79 TAAR1 (0.35) TAAR1
SCHEMBL29726557 0.79 TAAR1 (0.35) TAAR1
SCHEMBL3667007 0.77 TAAR1 (0.34) TAAR1
SCHEMBL21859702 0.77 PNMT (0.43) TAAR1ALDH1A1CYP1A2ALOX15CASP7
SCHEMBL6406593 0.76 NCEH1 (0.34) TAAR1ALDH1A1CYP1A2ALOX15CASP7
SCHEMBL3667297 0.74 PNMT (0.40) TAAR1ALDH1A1
SCHEMBL3676586 0.74 HTR2A (0.33) TAAR1
SCHEMBL11021619 0.73 TAAR1 (0.34) TAAR1
SCHEMBL18428590 0.72 PNMT (0.39) TAAR1ALDH1A1

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