SCHEMBL3672624

SCHEMBL3672624

CCc1c(Cc2cc(N)c(Br)c(CC)c2CC)cc(N)c(Br)c1CC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP7 P55210 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
DHFR P00374 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
SCHEMBL3676617 0.79 ALDH1A1 (0.38) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3678947 0.77 ALDH1A1 (0.34) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3675791 0.77 ALDH1A1 (0.34) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3679071 0.76 SKP2 (0.44) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL11008908 0.72 HTT (0.42) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL394710 0.70 NOS3 (0.39) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL1829607 0.70 HSPA5 (0.40) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL103249 0.68 POLB (0.38) ALDH1A1DHFR
SCHEMBL2049139 0.68 ALDH1A1 (0.33) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL16556091 0.68 HTT (0.38) 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