SCHEMBL3670707

SCHEMBL3670707

NCc1cc2ccccc2c(Cl)c1CN

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PNMT P11086 2/20 0.41
LOXL2 Q9Y4K0 4/20 0.40
CYP2A6 P11509 3/20 0.39
DPP4 P27487 2/20 0.36
ASIC3 Q9UHC3 1/20 0.35
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL3674579 0.78 HTR2A (0.57) HTR2AL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL3674869 0.78 HTR2A (0.57) HTR2AL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL15821323 0.75 HTR2A (0.48) HTR2AL3MBTL1ALDH1A1TAAR1PNMT
SCHEMBL6404480 0.75 CYP2A6 (0.54) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL8517693 0.74 HTR2A (0.56) HTR2AL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL29758941 0.73 HTR2A (1.00) HTR2AL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL2384515 0.73 HTR2A (1.00) HTR2AL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL3670705 0.73 HTR2A (0.67) HTR2AL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL2769421 0.73 HTR2A (0.50) HTR2AL3MBTL1ALDH1A1PNMTLOXL2
SCHEMBL25416888 0.70 HTR2A (0.68) HTR2AL3MBTL1ALDH1A1KDM4EGAA

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