SCHEMBL3670394

SCHEMBL3670394

CCc1cc(Cc2cc(CC)c(C)c(I)c2N)c(N)c(I)c1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 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
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL3678215 0.85 IKBKB (0.33) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3675232 0.82 SKP2 (0.35) HTTNOS2
SCHEMBL29701149 0.80 ALDH1A1 (0.33) ALDH1A1HTTMAPTNOS3NOS1
SCHEMBL3675789 0.80 DHFR (0.36) HTTPOLBCYP1A2HIF1A
SCHEMBL3673769 0.78 ALDH1A1 (0.39) ALDH1A1HTTMAPTPOLBCYP1A2
SCHEMBL3675876 0.76 ALDH1A1 (0.35) ALDH1A1HTTMAPTPOLBCYP1A2
SCHEMBL3674199 0.72 KDM4E (0.33) ALDH1A1POLB
SCHEMBL20210748 0.72 ALDH1A1 (0.44) ALDH1A1HTTMAPTPOLBCYP1A2
SCHEMBL29568739 0.72 ALDH1A1 (0.44) ALDH1A1HTTMAPTPOLBCYP1A2
SCHEMBL15256860 0.72 ALDH1A1 (0.44) ALDH1A1HTTMAPTPOLBCYP1A2

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