SCHEMBL3673502

SCHEMBL3673502

CCCc1c(Cc2ccc(N)c(CBr)c2CCC)ccc(N)c1CBr

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.33
SKP2 Q13309 1/20 0.33
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
SCHEMBL3669804 0.89 SKP2 (0.46) NOS2SKP2ALDH1A1CYP1A2ALOX15
SCHEMBL814318 0.88 NOS2 (0.37) NOS2SKP2ALDH1A1CYP1A2ALOX15
SCHEMBL3676818 0.87 NOS2 (0.33) NOS2SKP2ALDH1A1CYP1A2ALOX15
SCHEMBL3673771 0.85 ALDH1A1 (0.33) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3678219 0.81 NOS2 (0.33) NOS2SKP2
SCHEMBL3668951 0.81 NOS2 (0.33) NOS2SKP2
SCHEMBL3674257 0.81 NOS2 (0.33) NOS2SKP2
SCHEMBL3674203 0.80 NOS2 (0.33) NOS2
SCHEMBL1534142 0.78 NOS2 (0.38) NOS2SKP2ALDH1A1
SCHEMBL3672397 0.77 SKP2 (0.45) NOS2SKP2ALDH1A1CYP1A2ALOX15

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