SCHEMBL1149137

SCHEMBL1149137

O=C=Nc1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.39
▸ CYP3A4 P08684 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ NPFFR1 Q9GZQ6 1/20 0.33
▸ NPFFR2 Q9Y5X5 1/20 0.33
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ EPRS1 P07814 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ FFAR4 Q5NUL3 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
SCHEMBL29648920 1.00 KDM1A (0.39) KDM1ACYP3A4ALDH1A1HPGDTDP1
SCHEMBL5799704 0.82 KDM1A (0.39) KDM1ACYP3A4ALDH1A1HPGDTDP1
SCHEMBL30673509 0.82 KDM1A (0.39) KDM1ACYP3A4ALDH1A1HPGDTDP1
SCHEMBL9235250 0.81 CYP3A4 (0.49) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL3104369 0.80 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL30438763 0.80 IDO1 (0.39) CYP3A4ALDH1A1HPGDTDP1HCAR1
SCHEMBL424482 0.80 IDO1 (0.39) CYP3A4ALDH1A1HPGDTDP1HCAR1
SCHEMBL10905501 0.80 CES2 (0.46) CYP3A4ALDH1A1HPGDTDP1HCAR1
SCHEMBL31135862 0.80 CES2 (0.46) CYP3A4ALDH1A1HPGDTDP1HCAR1
SCHEMBL162277 0.79 RAB9A (0.40) CYP3A4ALDH1A1HPGDTDP1HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 — — EP claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 — — EP disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 — — EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 — — WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 — — EP disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 — — US disclosed
EP-4298140-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-01-03 — — EP disclosed
CN-116917364-A Low viscosity catalyst composition for producing isocyanurate polymers 科思创德国股份有限公司 2023-10-20 — — CN disclosed
CN-112020525-B Adducts of amine catalysts for preparing isocyanurate polymers 科思创知识产权两合公司 2023-05-16 — — CN disclosed
US-20220363809-A1 POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2022-11-17 — — US disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 — — US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 — — WO disclosed
CN-1050124-C Herbicide containing oxazolidinedione derivatives SAGAMI CHEM RES (JP) 2000-03-08 — — CN disclosed
CN-1027069-C Process for producing oxazolidinedione derivative SAGAMI CHEM RES (JP) 1994-12-21 — — CN disclosed
CN-1059718-A The weedicide that contains the  oxazolidinedione derivatives SAGAMI CHEM RES (JP) 1992-03-25 — — CN disclosed
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 — — EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 — — US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 — — US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 — — EP disclosed
CN-86108416-A Oxazolidinedione derivative, process for producing the same, and herbicide containing the same — 1987-07-29 — — CN disclosed
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