SCHEMBL9824699

SCHEMBL9824699

Cc1cccc2c(C)cccc12.N=C=O.N=C=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.68
CYP2A6 P11509 3/20 0.68
ALDH1A1 P00352 4/20 0.50
HIF1A Q16665 2/20 0.40
EPAS1 Q99814 2/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CES1 P23141 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
CES2 O00748 1/20 0.37
KDM1A O60341 1/20 0.37
EED O75530 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL29712917 1.00 CYP1A2 (0.68) CYP1A2CYP2A6ALDH1A1HIF1AEPAS1
SCHEMBL9824756 0.90 CYP1A2 (0.68) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL29712920 0.90 CYP1A2 (0.68) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL109503 0.86 CYP2A6 (0.74) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL424167 0.83 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL29463284 0.83 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL7634673 0.81 CYP1A2 (0.44) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL1629253 0.81 CYP1A2 (0.44) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL57485 0.81 TRPA1 (0.46) CYP1A2CYP2A6ALDH1A1HIF1AHSD17B10
SCHEMBL112222 0.81 TRPA1 (0.46) CYP1A2CYP2A6ALDH1A1HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4321350-A Process for the catalytic setting of polyurethane molding compositions GAMBRO DIALYSATOREN KG (DE) 1982-03-23 US claimed
EP-4245783-A1 PREPREG, MOLDED ARTICLE AND EPOXY RESIN COMPOSITION Mitsubishi Chemical Corporation (JP) 2023-09-20 EP disclosed
CN-115403742-A Oxazolidone ring-containing epoxy resin, process for producing the same, epoxy resin composition and use thereof, and cured epoxy resin 日铁化学材料株式会社 2022-11-29 CN disclosed
CN-110997851-B Allyl-functionalized urethane oligomers and related compositions for coatings and adhesives 阿科玛法国公司 2022-06-07 CN disclosed
CN-105467762-B Curable resin composition, dry film and cured product thereof, and printed wiring board having same 太阳油墨制造株式会社 2020-10-23 CN disclosed
CN-110997851-A Allyl-functionalized urethane oligomers and related compositions for coatings and adhesives 阿科玛法国公司 2020-04-10 CN disclosed
CN-105315614-B Porefilling heat curing resin composition, solidfied material and the printed circuit board of printed circuit board 太阳油墨(苏州)有限公司 2018-10-30 CN disclosed
CN-105968320-A Oxazolidone ring-containing epoxy resin, process for producing the same, epoxy resin composition and use thereof, and cured epoxy resin 新日铁住金化学株式会社 2016-09-28 CN disclosed
CN-105467762-A Curing resin composition, dried film and cured material thereof, and printed circuit board with same SANYO ELECTRIC CO 2016-04-06 CN disclosed
CN-1248061-C Dry toner and producing method thereof SEIKI EPSON CO LTD (JP) 2006-03-29 CN disclosed
EP-0025272-A1 Isocyanato-terminated polysulfide polymers and processes for their preparation THIOKOL CORPORATION (US) 1981-03-18 EP disclosed
US-4238585-A Aryl amine terminated polysulfide polymers, related compounds and processes for their preparation THIOKOL CORPORATION (US) 1980-12-09 US disclosed
US-4200762-A POLYETHYLENE ADIPATE ENCAPPED WITH TOLUENE DIISOCYANATE MODIFIED WITH BENZOIN THIOKOL CORPORATION (US) 1980-04-29 US disclosed
US-4184031-A Control of cure rate of polyurethane resins THIOKOL CORPORATION (US) 1980-01-15 US disclosed
US-4182848-A POLYTHIOL AND POLYENE THIOKOL CORPORATION (US) 1980-01-08 US disclosed
US-4157421-A POLYTHIOETHERS THIOKOL CORPORATION (US) 1979-06-05 US disclosed
US-4136092-A SUBSTITUTED DI- OR TRIAMINO-S-TRIAZINES THIOKOL CORPORATION (US) 1979-01-23 US disclosed
US-4131499-A BINDER OF HYDROXY OR CARBOXY CONTAINING PERFLUOROCARBON POLYMERS THIOKOL CORPORATION (US) 1978-12-26 US disclosed
US-4110135-A CURED HYDROXY TERMINATED POLYBUTADIENE BASED POLYURETHANE BOUND GRAIN THIOKOL CORPORATION (US) 1978-08-29 US disclosed
US-4072712-A FROM ISOCYANATES, CATALYSIS BAYER AKTIENGESELLSCHAFT (DT) 1978-02-07 US disclosed