SCHEMBL5665735

SCHEMBL5665735

CCCCc1ccc(N=Cc2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
CYP2D6 P10635 4/20 0.54
CYP2C9 P11712 4/20 0.54
ALDH1A1 P00352 3/20 0.53
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
CA2 P00918 3/20 0.49
PTGS2 P35354 2/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
PTGS1 P23219 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL5665730 1.00 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL3620867 0.93 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL11524101 0.93 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL6635785 0.93 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL12416611 0.90 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL10346503 0.90 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL10013520 0.90 ALDH1A1 (0.56) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL1129722 0.89 CYP2C9 (0.55) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL1129724 0.89 CYP2C9 (0.55) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL25491825 0.88 ALDH1A1 (0.61) CYP2D6CYP2C9ALDH1A1GRIN2DGRIN3B

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4206071-A Liquid crystal composition CHISSO CORPORATION (JP) 1980-06-03 US claimed
US-3965030-A BENZYLIDENEAMINES TEXAS INSTRUMENTS INCORPORATED (US) 1976-06-22 US claimed
US-3965029-A BIS-(4-ALKOXYBENZAL)-2-METHYL-1,4-PHENYLENEDIAMINE, 4-METHYLBENZAL-4'-BUTYLANILINE KENT STATE UNIVERSITY (US) 1976-06-22 US claimed
US-9175220-B2 High scattering smectic liquid crystal material and display device using the same HALATION PHOTONICS CORPORATION (CN) 2015-11-03 US disclosed
US-8569043-B2 Detection of post-translationally modified peptides with liquid crystals WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-10-29 US disclosed
US-20110053280-A1 Detection of Post-Translationally Modified Peptides with Liquid Crystals WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-03-03 US disclosed
US-20060188793-A1 Adjustable Transmission Phase Shift Mask LSI LOGIC CORPORATION (US) 2006-08-24 US disclosed
US-7067223-B2 Adjustable transmission phase shift mask LSI LOGIC CORPORATION (US) 2006-06-27 US disclosed
US-20050112478-A1 Adjustable transmission phase shift mask LSI LOGIC CORPORATION 2005-05-26 US disclosed
US-6841308-B1 Adjustable transmission phase shift mask LSI LOGIC CORPORATION (US) 2005-01-11 US disclosed
EP-0473206-B1 Compositions containing a terminal-modified block copolymer ASAHI CHEMICAL IND (JP) 1999-06-23 EP disclosed
US-4206071-A Liquid crystal composition CHISSO CORPORATION (JP) 1980-06-03 US disclosed
US-4038199-A LYOTROPIC NEMATIC LIQUID CRYSTALS FOR USE IN ELECTRO-OPTICAL DISPLAY DEVICES TEXAS INSTRUMENTS INCORPORATED (US) 1977-07-26 US disclosed
US-4038200-A LYOTROPIC NEMATIC LIQUID CRYSTALS FOR USE IN ELECTRO-OPTICAL DISPLAY DEVICES TEXAS INSTRUMENTS INCORPORATED (US) 1977-07-26 US disclosed
US-4035060-A Electro-optic device DAINIPPON PRINTING CO., LTD (JA) 1977-07-12 US disclosed
US-4011173-A MODIFIED NEMATIC MIXTURES WITH POSITIVE DIELECTRIC ANISOTROPY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-03-08 US disclosed
US-3965030-A BENZYLIDENEAMINES TEXAS INSTRUMENTS INCORPORATED (US) 1976-06-22 US disclosed
US-3965029-A BIS-(4-ALKOXYBENZAL)-2-METHYL-1,4-PHENYLENEDIAMINE, 4-METHYLBENZAL-4'-BUTYLANILINE KENT STATE UNIVERSITY (US) 1976-06-22 US disclosed
US-3960749-A Liquid-crystal mixtures for use in liquid-crystal displays INTERNATIONAL LIQUID XTAL COMPANY (US) 1976-06-01 US disclosed
US-3944330-A Electro-optic device DAINIPPON PRINTING CO., LTD. (JA) 1976-03-16 US disclosed