SCHEMBL3674174

SCHEMBL3674174

CCc1ccc(Cc2ccc(CC)c(C)c2N)c(N)c1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 3/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
DHFR P00374 1/20 0.32
CTRC Q99895 1/20 0.30

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
SCHEMBL8977704 0.91 GABRA1 (0.36) GABRA1GABRB2ALDH1A1HTTMAPT
SCHEMBL3668915 0.82 IKBKB (0.36) ALDH1A1HTTMAPTPOLBGAA
SCHEMBL11478698 0.82 PRKCI (0.35) ALDH1A1HTTMAPTPOLBTSHR
SCHEMBL27952543 0.81 ALDH1A1 (0.40) GABRA1GABRB2ALDH1A1HTTMAPT
SCHEMBL11661917 0.81 POLB (0.52) ALDH1A1HTTMAPTPOLBGAA
SCHEMBL3670218 0.79 TYR (0.41) GABRA1GABRB2ALDH1A1HTTMAPT
SCHEMBL8065484 0.78 CYP3A4 (0.42) ALDH1A1HTTMAPTPOLBGAA
SCHEMBL6320495 0.78 POLB (0.42) ALDH1A1HTTMAPTPOLBGAA
SCHEMBL27692013 0.77 BACE1 (0.40) GABRA1GABRB2ALDH1A1MAPTGAA
SCHEMBL2776271 0.76 ALDH1A1 (0.40) ALDH1A1HTTMAPTPOLBGAA

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