SCHEMBL7102166

SCHEMBL7102166

O=C=Nc1c(O)cccc1Cc1cccc(O)c1N=C=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.55
GABRB2 P47870 3/20 0.55
HSPA5 P11021 1/20 0.45
AKR1B1 P15121 1/20 0.39
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
IAPP P10997 2/20 0.33
DBH P09172 1/20 0.33
KEAP1 Q14145 1/20 0.33
CYP2D6 P10635 1/20 0.32
HIF1A Q16665 1/20 0.32
HTR2A P28223 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
MEP1B Q16820 1/20 0.31

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
SCHEMBL11855962 0.83 GABRA1 (0.50) GABRA1GABRB2CYP3A4TSHRDBH
SCHEMBL753897 0.82 GABRA1 (0.42) GABRA1GABRB2HSPA5CYP3A4TSHR
SCHEMBL467385 0.78 GABRA1 (0.57) GABRA1GABRB2CYP3A4TSHR
SCHEMBL5456903 0.78 CYP3A4 (0.54) GABRA1GABRB2CYP3A4DBHHIF1A
SCHEMBL11509303 0.77 GABRA1 (0.60) GABRA1GABRB2CYP3A4TSHRTAAR1
SCHEMBL1925963 0.77 GABRA1 (0.60) GABRA1GABRB2CYP3A4TSHRTAAR1
SCHEMBL9840375 0.77 GABRA1 (0.55) GABRA1GABRB2CYP3A4TSHR
SCHEMBL27933643 0.76 GABRA1 (0.50) GABRA1GABRB2AKR1B1IAPP
SCHEMBL23721618 0.76 GABRA1 (0.58) GABRA1GABRB2HSPA5CYP3A4TSHR
SCHEMBL1396461 0.76 GABRA1 (0.58) GABRA1GABRB2HSPA5CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0113233-A1 Polyepoxide coating compositions containing urea curing agents THE VALSPAR CORPORATION (US) 1984-07-11 EP claimed
US-4436890-A Aromatic urea-based curing agent system for epoxy resin coating compositions MOBIL OIL CORPORATION (US) 1984-03-13 US claimed
US-11976414-B2 Polysiloxane-based water repellants for textiles DOW SILICONES CORPORATION (US) 2024-05-07 US disclosed
EP-4355944-A1 POLYSILOXANE-BASED WATER REPELLANTS FOR TEXTILES Dow Silicones Corporation (US) 2024-04-24 EP disclosed
US-20240102233-A1 POLYSILOXANE-BASED WATER REPELLANTS FOR TEXTILES DOW SILICONES CORPORATION 2024-03-28 US disclosed
CN-117480297-A Polysiloxane-based waterproofing agents for textiles 美国陶氏有机硅公司 2024-01-30 CN disclosed
EP-4291611-A1 AQUEOUS EMULSION INCLUDING INTERPENETRATING NETWORK OF SILICON RESIN AND ORGANIC POLYMERS Dow Silicones Corporation (US) 2023-12-20 EP disclosed
US-11685834-B2 Aqueous emulsion including interpenetrating network of silicon resin and organic polymers DOW SILICONES CORPORATION (US) 2023-06-27 US disclosed
CN-116234957-A Aqueous emulsion comprising interpenetrating network of silicone resin and organic polymer 美国陶氏有机硅公司 2023-06-06 CN disclosed
US-20230125136-A1 AQUEOUS EMULSION INCLUDING INTERPENETRATING NETWORK OF SILICON RESIN AND ORGANIC POLYMERS DOW SILICONES CORPORATION 2023-04-27 US disclosed
WO-2022266566-A1 POLYSILOXANE-BASED WATER REPELLANTS FOR TEXTILES DOW SILICONES CORPORATION (US) 2022-12-22 WO disclosed
EP-1237978-B1 HIGHLY DURABLE OIL/WATER REPELLENTS FOR TEXTILES DU PONT (US) 2003-09-17 EP disclosed
US-6451717-B1 POLYMERIZING MIXTURE OF ACRYLIC ESTER MONOMERS, ONE OF WHICH IS A PERFLUOROALKYL ESTER, IN AN ORGANIC SOLVENT USING A FREE RADICAL INITIATOR; ADDING AN AROMATIC BLOCKED ISOCYANATE TO THIS FLUOROPOLYMER E. I. DU PONT DE NEMOURS AND COMPANY 2002-09-17 US disclosed
EP-1237978-A1 HIGHLY DURABLE OIL/WATER REPELLENTS FOR TEXTILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-09-11 EP disclosed
WO-2001044339-A1 HIGHLY DURABLE OIL/WATER REPELLENTS FOR TEXTILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-06-21 WO disclosed