SCHEMBL5081276

SCHEMBL5081276

S=C(Nc1ccccc1)Nc1ccc(Cl)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.85
ALDH1A1 P00352 4/20 0.74
CYP3A4 P08684 1/20 0.74
TAS2R38 P59533 1/20 0.74
HSD17B10 Q99714 1/20 0.74
KMT2A Q03164 5/20 0.67
GAA P10253 3/20 0.67
MAOA P21397 2/20 0.67
MAOB P27338 2/20 0.67
LMNA P02545 1/20 0.67
MAPT P10636 5/20 0.66
RAB9A P51151 5/20 0.66
MEN1 O00255 4/20 0.66
NPC1 O15118 4/20 0.66
NPSR1 Q6W5P4 2/20 0.66
HPGD P15428 1/20 0.66
ALOX12 P18054 1/20 0.66
HTT P42858 1/20 0.66
CNR1 P21554 1/20 0.66
KDM4E B2RXH2 1/20 0.64

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
SCHEMBL8956349 1.00 NOX1 (0.85) NOX1ALDH1A1CYP3A4TAS2R38HSD17B10
SCHEMBL8956455 0.91 MAPT (0.75) NOX1ALDH1A1CYP3A4TAS2R38HSD17B10
SCHEMBL5445907 0.91 MAPT (0.75) NOX1ALDH1A1CYP3A4TAS2R38HSD17B10
SCHEMBL8956322 0.89 ALDH1A1 (0.94) NOX1ALDH1A1CYP3A4TAS2R38HSD17B10
SCHEMBL132620 0.86 ALDH1A1 (1.00) NOX1ALDH1A1CYP3A4TAS2R38HSD17B10
Thiourea SCHEMBL1991944 0.84 MAPT (0.73) NOX1ALDH1A1GAAMAOBLMNA
SCHEMBL11067896 0.84 ALDH1A1 (0.78) ALDH1A1KMT2AGAAMAOAMAOB
SCHEMBL11174543 0.84 ALDH1A1 (0.69) NOX1ALDH1A1KMT2AGAALMNA
SCHEMBL9470190 0.84 ALDH1A1 (0.94) NOX1ALDH1A1CYP3A4TAS2R38HSD17B10
SCHEMBL25132396 0.82 ALDH1A1 (0.74) NOX1ALDH1A1KMT2ALMNAMAPT

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
CN-112011327-A Preparation method of core-shell structure quantum dot and product prepared by same 苏州星烁纳米科技有限公司 2020-12-01 CN claimed
US-5236633-A Blend of transparent polymer, thiourea and copper compounds JUJO PAPER CO., LTD. (JP) 1993-08-17 US claimed
US-4264710-A AN ETHYLENICALLY UNSATURATED COMPOUND, AND A PHOTOPOLYMERIZATION INIATOR FUJI PHOTO FILM CO., LTD. (JP) 1981-04-28 US claimed
CN-112011327-A Preparation method of core-shell structure quantum dot and product prepared by same 苏州星烁纳米科技有限公司 2020-12-01 CN disclosed
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
US-20080227895-A1 Fire retardant vinyl chloride-based resin composition and molded article thereof MITSUBISHI PLASTICS, INC. (JP) 2008-09-18 US disclosed
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 CN disclosed
CN-1315936-C Flame-resistant vinyl chloride based resin composition and formed product therefrom MITSUBISHI PLASTICS INC (JP) 2007-05-16 CN disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed
US-20060014874-A1 Flame-resistant vinyl chlorride based resin composition and formed product therefrom MITSUBISHI PLASTICS, INC. (JP) 2006-01-19 US disclosed
CN-1708550-A Flame-resistant vinyl chloride based resin composition and formed product therefrom MITSUBISHI PLASTICS INC (JP) 2005-12-14 CN disclosed
US-5514740-A SHEET OR FILM HAVING CUPRIC SULFIDE DISPERSED THEREIN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-07 US disclosed
US-5393443-A Hard-coating, heat-absorbing composition and heat-shielding substance JUJO PAPER CO., LTD. (JP) 1995-02-28 US disclosed
US-4461821-A Photoconductive compositions and electrophotographic photosensitive materials comprising an organic photoconductor and a thiourea compound FUJI PHOTO FILM CO., LTD. (JP) 1984-07-24 US disclosed