SCHEMBL6858063

SCHEMBL6858063

O=C=Nc1cccc2c(N=C=O)c3ccccc3cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.43
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 5/20 0.43
CYP3A4 P08684 4/20 0.43
HPGD P15428 3/20 0.43
MAOA P21397 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ABCB11 O95342 1/20 0.43
NR3C1 P04150 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ALOX15 P16050 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
CCR2 P41597 1/20 0.43
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
HIF1A Q16665 3/20 0.35

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
SCHEMBL9229488 0.84 CYP3A4 (0.54) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL3713908 0.84 ALDH1A1 (0.42) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL3714186 0.82 CYP3A4 (0.48) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL112471 0.81 POLB (0.41) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL11309180 0.81 CYP3A4 (0.47) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL1169526 0.80 CYP3A4 (0.43) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
Alpha-Naphthylisocyanate SCHEMBL29400034 0.80 CYP1A2 (0.64) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
Alpha-Naphthylisocyanate SCHEMBL374 0.80 CYP1A2 (0.64) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
Alpha-Naphthylisocyanate SCHEMBL3333508 0.78 CYP1A2 (0.62) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL1170136 0.78 GABRA1 (0.48) CYP1A2ALDH1A1HSD17B10CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279972-A Two-component polyurethane compositions, methods of making, and methods of using the same 阿科玛法国 2023-12-22 CN claimed
EP-4263209-A1 A TWO-COMPONENT POLYURETHANE COMPOSITION, PROCESS FOR PREPARING THE SAME AND A METHOD OF USE THEREOF ARKEMA FRANCE (FR) 2023-10-25 EP claimed
WO-2022133025-A1 A TWO-COMPONENT POLYURETHANE COMPOSITION, PROCESS FOR PREPARING THE SAME AND A METHOD OF USE THEREOF ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2022-06-23 WO claimed
US-20240052090-A1 A TWO-COMPONENT POLYURETHANE COMPOSITION, PROCESS FOR PREPARING THE SAME AND A METHOD OF USE THEREOF ARKEMA FRANCE (FR) 2024-02-15 US disclosed
CN-117279972-A Two-component polyurethane compositions, methods of making, and methods of using the same 阿科玛法国 2023-12-22 CN disclosed
EP-3589671-B1 MULTI-COMPONENT ADHESIVE SYSTEM ARKEMA FRANCE (FR) 2023-12-13 EP disclosed
US-6831133-B2 Hydroxylation, epoxidation and hydrosilation; graft polymers containing pendant polyesters, polycarbonates, polyurethanes, polyethers, or polyamides; used as compatibilizing agents THE UNIVERSITY OF AKRON 2004-12-14 US disclosed
EP-1084168-B8 ALKYD RESIN EMULSIONS AND UTILIZATION OF THE SAME ASHLAND SUEDCHEMIE KERNFEST (DE) 2003-12-03 EP disclosed
EP-0934041-A4 HYDROGEL WOUND DRESSING AND THE METHOD OF MAKING AND USING THE SAME SHERWOOD SERV AG (CH) 2003-01-08 EP disclosed
US-20020061973-A1 Addition of unsaturated hydrocarbons to poly(vinyl chloride) and functionalization thereof UNIVERSITY OF AKRON (US) 2002-05-23 US disclosed
EP-0679705-B1 Polyurethane compositions, their preparation and use GENCORP INC (US) 2002-03-06 EP disclosed
US-5468831-A One-package structural adhesive GENCORP INC. (US) 1995-11-21 US disclosed
EP-0679705-A1 Polyurethane compositions, their preparation and use GENCORP INC. (US) 1995-11-02 EP disclosed
EP-0328808-B1 Polyurethane adhesive for a surface treatment-free fiber reinforced plastic GENCORP INC (US) 1994-03-16 EP disclosed
EP-0546771-A1 Two-component urethame adhesive compositions GENCORP INC. (US) 1993-06-16 EP disclosed
US-5175228-A Containing trimerization catalyst GENCORP INC. (US) 1992-12-29 US disclosed
EP-0503755-A1 Adhesive composition GENCORP INC. (US) 1992-09-16 EP disclosed
US-4876308-A FIBERGLASS REINFORCED PLASTICS WITH GOOD HUMIDITY ADHESION GENCORP INC. (US) 1989-10-24 US disclosed
EP-0328808-A2 Polyurethane adhesive for a surface treatment-free fiber reinforced plastic GENCORP INC. (US) 1989-08-23 EP disclosed
US-4081578-A COMPRESSION MOLDING, CROSSLINKED ISOCYANATE COATING THE GENERAL TIRE & RUBBER COMPANY (US) 1978-03-28 US disclosed