SCHEMBL3674137

SCHEMBL3674137

CCc1ccc(Cc2ccc(CC)c(CC)c2N)c(N)c1CC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
HTT P42858 3/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
DHFR P00374 2/20 0.33
ALDH1A1 P00352 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
HTR1A P08908 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
SCHEMBL615425 0.91 GABRA1 (0.36) GABRA1GABRB2HTTMAPTPOLB
SCHEMBL393531 0.90 POLB (0.35) GABRA1GABRB2HTTMAPTPOLB
SCHEMBL3670448 0.85 KDM4E (0.37) HTTMAPTPOLBNOS3NOS2
SCHEMBL426234 0.82 NOS2 (0.44) HTTMAPTPOLBNOS3NOS2
SCHEMBL3678896 0.82 POLB (0.31) HTTMAPTPOLBNOS3NOS2
SCHEMBL571458 0.81 POLB (0.40) GABRA1GABRB2HTTMAPTPOLB
Ethane SCHEMBL27792904 0.79 POLB (0.39) GABRA1GABRB2HTTMAPTPOLB
Methane SCHEMBL28038190 0.79 POLB (0.39) GABRA1GABRB2HTTMAPTPOLB
SCHEMBL5697401 0.79 NOS3 (0.41) HTTMAPTPOLBNOS3NOS2
SCHEMBL9278587 0.79 POLB (0.32) GABRA1GABRB2HTTPOLBNOS3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296540-B1 DISPLAY TORAY INDUSTRIES (JP) 2019-10-16 EP disclosed
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-6887643-B2 Photosensitive resin precursor composition TORAY INDUSTRIES, INC. (JP) 2005-05-03 US disclosed
EP-0878740-B1 Radiation sensitive polymer composition TORAY INDUSTRIES (JP) 2004-11-10 EP 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
US-20040053156-A1 Photosensitive resin precursor composition TORAY INDUSTRIES, INC. (JP) 2004-03-18 US disclosed
US-6696112-B2 POSITIVE-TYPE, PHOTOSENSITIVITY; FLAT PANEL DISPLAYS TORAY INDUSTRIES, INC. (JP) 2004-02-24 US disclosed
EP-1388758-A1 Photosensitive heat resistant resin precursor composition TORAY INDUSTRIES, INC. (JP) 2004-02-11 EP disclosed
EP-1296540-A1 DISPLAY TORAY INDUSTRIES, INC. (JP) 2003-03-26 EP disclosed
US-20020162998-A1 Display TORAY INDUSTRIES, INC. (JP) 2002-11-07 US disclosed
US-6090525-A PHOTOSENSITIVE POLYIMIDE COATING AGENT COMPOSITION WITH BOTH GOOD VISCOSITY STABILITY AT ROOM TEMPERATURE WITH LAPSE OF TIME AND GOOD PHOTOSENSITIVE PERFORMANCE TORAY INDUSTRIES, INC. (JP) 2000-07-18 US disclosed
EP-0878740-A1 Radiation sensitive polymer composition TORAY INDUSTRIES, INC. (JP) 1998-11-18 EP disclosed