SCHEMBL4581190

SCHEMBL4581190

O=C=Nc1ccc(Nc2ccc(N=C=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.54
▸ TSHR P16473 3/20 0.54
▸ TDP1 Q9NUW8 4/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HTT P42858 2/20 0.46
▸ MAPK1 P28482 3/20 0.45
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ TRPA1 O75762 1/20 0.42
▸ CYP1A2 P05177 2/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ ALOX12 P18054 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ CASP3 P42574 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
SCHEMBL15430 0.84 CYP3A4 (0.70) CYP3A4TSHRTDP1HSD17B10ALDH1A1
SCHEMBL11221931 0.83 HPGD (0.58) TDP1HSD17B10ALDH1A1HTTMAPK1
SCHEMBL19578677 0.81 CYP3A4 (0.56) CYP3A4TSHRTDP1HSD17B10ALDH1A1
SCHEMBL27741428 0.81 CYP3A4 (0.67) CYP3A4TSHRTDP1ALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL28239770 0.81 CYP3A4 (0.67) CYP3A4TSHRTDP1ALDH1A1MAPK1
Water SCHEMBL28889229 0.81 CYP3A4 (0.67) CYP3A4TSHRTDP1ALDH1A1MAPK1
SCHEMBL14613454 0.79 CYP3A4 (0.48) CYP3A4TSHRTDP1HSD17B10ALDH1A1
SCHEMBL24390652 0.76 CYP3A4 (0.42) CYP3A4TSHRALDH1A1HTTMAPK1
SCHEMBL15822145 0.76 CYP3A4 (0.45) CYP3A4TSHRTDP1ALDH1A1HTT
Cyclohexane SCHEMBL1006843 0.76 CYP3A4 (0.61) CYP3A4TSHRTDP1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019040347-A1 COATED PARTICLES, METHODS FOR THEIR MANUFACTURE AND FOR THEIR USE AS PROPPANTS COVESTRO LLC (US) 2019-02-28 — — WO claimed
US-4166066-A DISPERSING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-08-28 — — US claimed
US-4163749-A Dispersing agents IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-08-07 — — US claimed
US-4115465-A Separation of aromatic hydrocarbons from mixtures, using polyurethane membranes BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 — — US claimed
CN-110869355-B Benzopyran compound, curable composition containing the compound, and optical article containing cured product formed from the curable composition 株式会社德山 2023-11-14 — — CN disclosed
CN-112424260-B Photochromic compound and curable composition containing the same 株式会社德山 2023-10-13 — — CN disclosed
US-20230130031-A1 Thermoplastic Polyurethane Compositions Comprising Nitro-Substituted Polyester Diols NOVOLOOP INC (US) 2023-04-27 — — US disclosed
CN-115843302-A Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols 诺弗洛普有限公司 2023-03-24 — — CN disclosed
EP-4118131-A1 THERMOPLASTIC POLYURETHANE COMPOSITIONS COMPRISING NITRO-SUBSTITUTED POLYESTER DIOLS Novoloop, Inc. (US) 2023-01-18 — — EP disclosed
WO-2021183883-A1 THERMOPLASTIC POLYURETHANE COMPOSITIONS COMPRISING NITRO-SUBSTITUTED POLYESTER DIOLS BIOCELLECTION INC. (US) 2021-09-16 — — WO disclosed
US-11028217-B1 Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols BIOCELLECTION INC. (US) 2021-06-08 — — US disclosed
US-10851291-B2 Coated particles, methods for their manufacture and for their use as proppants COVESTRO LLC (US) 2020-12-01 — — US disclosed
EP-0101741-B1 COLORING METHOD AND COLOR-FORMING MATERIAL Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-05-20 — — EP disclosed
EP-0157139-A2 Process for the phenol-free preparation of aromatic-aliphatic polyamide imides BAYER AG (DE) 1985-10-09 — — EP disclosed
US-4521793-A Coloring method and color-forming material ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-06-04 — — US disclosed
US-4472230-A Aqueous polyisocyanate emulsions useful as binders in the production of molded articles BAYER AKTIENGESELLSCHAFT (DE) 1984-09-18 — — US disclosed
EP-0101741-A1 COLORING METHOD AND COLOR-FORMING MATERIAL Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-03-07 — — EP disclosed
US-4318850-A Carboxamide type azomethine pigment ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-03-09 — — US disclosed
US-4157424-A LEACHABLE FILLERS, POLYURETHANES PORVAIR LIMITED (GB) 1979-06-05 — — US disclosed
US-4115465-A Separation of aromatic hydrocarbons from mixtures, using polyurethane membranes BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 — — US disclosed
Send feedback