SCHEMBL3673771

SCHEMBL3673771

CCc1c(Cc2ccc(N)c(CBr)c2CC)ccc(N)c1CBr

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL2049139 0.87 ALDH1A1 (0.33) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3673502 0.85 NOS2 (0.33) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3669804 0.82 SKP2 (0.46) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3675878 0.80
SCHEMBL3670397 0.80 SLC6A2 (0.30)
SCHEMBL396164 0.76 POLB (0.41) ALDH1A1HSD17B10GABRA1GABRB2
SCHEMBL6737765 0.75 TSHR (0.37) ALDH1A1CYP1A2ALOX15CASP7HIF1A
Bromide SCHEMBL5088452 0.74 POLB (0.40) ALDH1A1GABRA1GABRB2
Hydrochloric Acid SCHEMBL233673 0.74 POLB (0.40) ALDH1A1GABRA1GABRB2
Water SCHEMBL188047 0.74 POLB (0.44) ALDH1A1GABRA1GABRB2

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