SCHEMBL3676817

SCHEMBL3676817

CCCc1cc(Cc2cc(CCC)c(CC)c(Br)c2N)c(N)c(Br)c1CC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
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
POLB P06746 1/20 0.31
DHFR P00374 1/20 0.30
IKBKB O14920 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
SCHEMBL3676615 0.91 ALDH1A1 (0.32) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3672623 0.86 GABRA1 (0.37) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3672394 0.82 SKP2 (0.35)
SCHEMBL3674256 0.80 KDM4E (0.33) ALDH1A1KDM4EPOLB
SCHEMBL3674199 0.80 KDM4E (0.33) ALDH1A1KDM4EPOLB
SCHEMBL3679070 0.80 SKP2 (0.40) ALDH1A1KDM4ECYP1A2ALOX15CASP7
SCHEMBL3673501 0.79 ALDH1A1 (0.36) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3801329 0.76 KDM4E (0.39) ALDH1A1KDM4EPOLBDHFRIKBKB
SCHEMBL3671259 0.74 CHRM1 (0.30) CYP1A2HIF1AIKBKB
SCHEMBL3674821 0.74 NOS2 (0.30) IKBKB

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