SCHEMBL3670705

SCHEMBL3670705

NCc1c(Cl)cc2ccccc2c1CN

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.67
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LOXL2 Q9Y4K0 2/20 0.42
CYP2A6 P11509 3/20 0.40
DPP4 P27487 3/20 0.40
CYP1A2 P05177 2/20 0.40
PNMT P11086 1/20 0.39
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35
POLB P06746 1/20 0.35
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL29758941 0.81 HTR2A (1.00) HTR2AL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL2384515 0.81 HTR2A (1.00) HTR2AL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL6404477 0.78 ALDH1A1 (0.60) HTR2AL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL3674577 0.76 HTR2A (0.67) HTR2AL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL3674867 0.76 HTR2A (0.67) HTR2AL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL3670707 0.73 HTR2A (0.57) HTR2AL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL15345473 0.72 HTR2A (0.50) HTR2AL3MBTL1ALDH1A1KDM4EGAA
Toluene SCHEMBL28722311 0.71 HTR2A (0.77) HTR2AL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL29439367 0.71 HTR2A (0.64) HTR2AL3MBTL1ALDH1A1KDM4EGAA
Carbamic Acid SCHEMBL28158294 0.71 HTR2A (0.77) 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