SCHEMBL3675876

SCHEMBL3675876

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 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
GAA P10253 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
SCHEMBL3668949 0.85 IKBKB (0.33) ALDH1A1MAPTCYP1A2ALOX15CASP7
SCHEMBL3671802 0.82 SKP2 (0.35) ALDH1A1MAPTHTTNOS2GAA
SCHEMBL10341228 0.80 ALDH1A1 (0.39) ALDH1A1MAPTHTTPOLBCYP1A2
SCHEMBL3678945 0.80 DHFR (0.36) HTTPOLB
SCHEMBL9361610 0.79 HTT (0.39) ALDH1A1MAPTHTTPOLBCYP1A2
SCHEMBL3673769 0.78 ALDH1A1 (0.39) ALDH1A1MAPTHTTPOLBCYP1A2
SCHEMBL3670394 0.76 ALDH1A1 (0.35) ALDH1A1MAPTHTTPOLBCYP1A2
SCHEMBL26030188 0.75 ALDH1A1 (0.33) ALDH1A1CYP1A2
SCHEMBL15262 0.73 HTT (0.38) ALDH1A1MAPTHTTPOLBCYP1A2
SCHEMBL9361265 0.73 HTT (0.35) ALDH1A1MAPTHTTPOLB

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