SCHEMBL33014

SCHEMBL33014

O=C=Nc1ccc2c(N=C=O)cccc2c1N=C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ABCB11 O95342 1/20 0.36
NR3C1 P04150 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADRA2C P18825 1/20 0.36
MAOA P21397 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2B P41595 1/20 0.36
CCR2 P41597 1/20 0.36
TRPA1 O75762 1/20 0.32

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
SCHEMBL22210 0.85 CYP3A4 (0.62) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL29370250 0.85 CYP3A4 (0.62) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL29375242 0.84 CYP3A4 (0.53) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL31249481 0.84 CYP3A4 (0.53) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL332723 0.84 CYP3A4 (0.53) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL3649787 0.81 GABRA1 (0.61) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL27066 0.81 CYP3A4 (0.50) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL29405309 0.81 CYP3A4 (0.50) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL109280 0.81 CYP3A4 (0.62) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL5095517 0.80 HPRT1 (0.48) CYP3A4ALDH1A1HPGDTDP1ALOX15

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 1828 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396411-A1 PROCESS FOR PREPARATION OF ASPHALT MIX COMPOSITION, ASPHALT MIX COMPOSITION AND ITS USE BASF SE (DE) 2024-07-10 EP claimed
EP-4396268-A1 PROCESS FOR PREPARATION OF ASPHALT MIX COMPOSITION BASF SE (DE) 2024-07-10 EP claimed
WO-2024083887-A1 FREE-RADICAL POLYMERISATION OF UV-CROSSLINKING SILANE ACRYLATES IN AN ISOCYANATE-CONTAINING POLYURETHANE MATRIX FOLLMANN GMBH & CO. KG (DE) 2024-04-25 WO claimed
EP-4326795-A1 POLYMERIZATION OF A SILANE-MODIFIED POLYMER, WHICH IS PRODUCED BY MEANS OF A RADICAL CHAIN POLYMERIZATION, IN A POLYOL OR IN A PREPOLYMER WITH TERMINAL ISOCYANATE GROUPS, AND USE THEREOF IN POLYURETHANE FORMULATIONS Follmann GmbH & Co. KG (DE) 2024-02-28 EP claimed
WO-2024030264-A1 BIO-BASED POLYOLS FOR HIGH PERFORMANCE POLYURETHANE APPLICATIONS INGEVITY UK LTD. (GB) 2024-02-08 WO claimed
WO-2023084045-A1 REVERSIBLE ADHESIVE MATERIAL FOR APPLICATIONS IN PACKAGING RECYCLING CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2023-05-19 WO claimed
EP-4180495-A1 REVERSIBLE ADHESIVE MATERIAL FOR APPLICATIONS IN PACKAGING RECYCLING Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2023-05-17 EP claimed
WO-2023078664-A1 ELECTRODEPOSITION COATING COMPOSITION AND ITS PREPARATION BASF COATINGS GMBH (DE) 2023-05-11 WO claimed
WO-2023031441-A1 PROCESS FOR PREPARATION OF ASPHALT MIX COMPOSITION, ASPHALT MIX COMPOSITION AND ITS USE BASF SE (DE) 2023-03-09 WO claimed
WO-2023031443-A1 PROCESS FOR PREPARATION OF ASPHALT MIX COMPOSITION BASF SE (DE) 2023-03-09 WO claimed
WO-2001094438-A1 URETHANE BASED ON ORGANOLEPTICALLY ACTIVE AROMATIC ALCOHOLS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-13 WO claimed
EP-1090234-A1 ELASTIC ANTISTATIC COUPLING ELEMENT Tschan GmbH (DE) 2001-04-11 EP claimed
EP-0965611-A1 Polyurethane moulded parts, process for their preparation as well as panel shaped semi-finished product and tub-shaped objects obtainable using the polyurethane moulded parts produced in this way Schwanekamp GmbH (DE) 1999-12-22 EP claimed
WO-1999056030-A1 ELASTIC ANTISTATIC COUPLING ELEMENT TSCHAN GMBH (DE) 1999-11-04 WO claimed
EP-0950080-A2 COATING COMPOSITION Bollig & Kemper GmbH & Co. KG (DE) 1999-10-20 EP claimed
EP-0868457-A1 POLYURETHANES MADE FROM POLYSILOXANE/POLYOL MACROMERS Novartis AG (CH) 1998-10-07 EP claimed
WO-1998029195-A2 COATING COMPOSITION BOLLIG & KEMPER GMBH & CO. KG (DE) 1998-07-09 WO claimed
EP-0850260-A1 METHOD OF PREPARING COMPACT OR CELLULAR POLYURETHANE ELASTOMERS AND ISOCYANATE PREPOLYMERS SUITABLE THEREFOR BASF AKTIENGESELLSCHAFT (DE) 1998-07-01 EP claimed
WO-1997023532-A1 POLYURETHANES MADE FROM POLYSILOXANE/POLYOL MACROMERS NOVARTIS AG (CH) 1997-07-03 WO claimed
WO-1997010278-A1 METHOD OF PREPARING COMPACT OR CELLULAR POLYURETHANE ELASTOMERS AND ISOCYANATE PREPOLYMERS SUITABLE THEREFOR BASF AKTIENGESELLSCHAFT (DE) 1997-03-20 WO claimed