SCHEMBL3674867

SCHEMBL3674867

NCc1c(Br)cc2ccccc2c1CN

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.67
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
L3MBTL1 Q9Y468 1/20 0.45
LOXL2 Q9Y4K0 6/20 0.42
HSD17B10 Q99714 3/20 0.41
HIF1A Q16665 1/20 0.41
CYP1B1 Q16678 1/20 0.41
GPR35 Q9HC97 2/20 0.35
POLB P06746 1/20 0.35
DPP4 P27487 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2A6 P11509 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
CYP2D6 P10635 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
SCHEMBL2384515 0.81 HTR2A (1.00) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL29758941 0.81 HTR2A (1.00) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL6403906 0.78 ALDH1A1 (0.60) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL3674577 0.76 HTR2A (0.67) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL3670705 0.76 HTR2A (0.67) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL3674869 0.73 HTR2A (0.57) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL1264432 0.72 HTR2A (0.68) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL9445712 0.71 HTR2A (0.65) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL29439367 0.71 HTR2A (0.64) HTR2AALDH1A1KDM4EGAAMAPT
Toluene SCHEMBL28722311 0.71 HTR2A (0.77) HTR2AALDH1A1KDM4EGAAMAPT

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