SCHEMBL3674869

SCHEMBL3674869

NCc1cc2ccccc2c(Br)c1CN

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.57
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LOXL2 Q9Y4K0 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
CYP2A6 P11509 3/20 0.35
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PNMT P11086 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
ATM Q13315 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32

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
SCHEMBL3670707 0.78 HTR2A (0.57) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL3674579 0.78 HTR2A (0.57) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL6403911 0.75 POLB (0.50) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL8517693 0.74 HTR2A (0.56) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL2384515 0.73 HTR2A (1.00) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL29758941 0.73 HTR2A (1.00) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL3674867 0.73 HTR2A (0.67) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL25416888 0.70 HTR2A (0.68) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL24832293 0.70 GPR84 (0.44) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL29527767 0.70 POLB (0.52) HTR2AALDH1A1KDM4EMAPTL3MBTL1

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