SCHEMBL123539

SCHEMBL123539

c1ccc(CCCc2ccncc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.61
CYP3A4 P08684 3/20 0.61
CYP2D6 P10635 3/20 0.61
CYP2C9 P11712 3/20 0.61
CYP2C19 P33261 3/20 0.61
HIF1A Q16665 1/20 0.61
HRH1 P35367 2/20 0.56
HTR2A P28223 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.52
HRH4 Q9H3N8 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
LTA4H P09960 1/20 0.52
SIGMAR1 Q99720 1/20 0.50
ABCB1 P08183 1/20 0.50
MAOA P21397 1/20 0.50

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
Hydrochloric Acid SCHEMBL6419195 0.98 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Iodide SCHEMBL8083284 0.98 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27346649 0.98 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8200263 0.95 HRH1 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12040597 0.93 HRH1 (0.65) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9587455 0.93 HRH1 (0.65) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9588693 0.93 HRH1 (0.65) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7148887 0.91 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Pyridine SCHEMBL19285795 0.90 HRH1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9114210 0.90 CYP1A2 (0.65) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 1259 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4314945-B1 ELECTROCHROMIC ELEMENT, ELECTROCHROMIC DISPLAY DEVICE, ELECTROCHROMIC LIGHT-CONTROLLING DEVICE, AND ELECTROLYTE COMPOSITION RICOH CO LTD (JP) 2025-12-17 EP claimed
CN-116096837-B Nitride etchant composition and method 恩特格里斯公司 2025-05-13 CN claimed
EP-4532795-A1 ETCHANT COMPOSITION AND METHOD Entegris, Inc. (US) 2025-04-09 EP claimed
US-20250019590-A1 NITRIDE ETCHANT COMPOSITION AND METHOD ENTEGRIS, INC. 2025-01-16 US claimed
CN-119256120-A Etchant composition and method 恩特格里斯公司 2025-01-03 CN claimed
US-12152187-B2 Nitride etchant composition and method ENTEGRIS, INC. (US) 2024-11-26 US claimed
CN-113214445-B Binder based on benzyl ether type phenolic resin containing free phenol and free hydroxy benzyl alcohol ASK化学品股份有限公司 2024-10-11 CN claimed
EP-4251344-B1 METHOD OF PRODUCING MOLDS, CORE OR RISER HUETTENES ALBERTUS CHEMISCHE WERKE GMBH (DE) 2024-10-02 EP claimed
US-12083584-B2 Halloysite clay as smoke-reducing additive for polyurethane-forming binder system ASK Chemicals LLC (US) 2024-09-10 US claimed
US-12069877-B2 Composition for manufacturing light-emitting device, light-emitting device manufactured by the same, and method of manufacturing the light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2024-08-20 US claimed
US-5001190-A Process for filling space in a structure with a polyurethane composite in the presence of water ASHLAND OIL, INC. (US) 1991-03-19 US claimed
CN-1007256-B TIN OR BISMUTH COORDIRATED CATALYST AND THE RELEVANT COATINGS TRIGGING-SOLIDIFYING JARSELAN OIL CO (US) 1990-03-21 CN claimed
US-4855383-A In situ quaternary ammonium catalyst formation for curing polymeric isocyanates ASHLAND OIL, INC. (US) 1989-08-08 US claimed
US-4788083-A POLYURETHANES, POT LIFE ASHLAND OIL, INC. (US) 1988-11-29 US claimed
WO-1988003090-A1 POLYURETHANE COMPOSITES COMPRISING A COARSE AGGREGATE AND CERTAIN POLYURETHANE BINDERS ASHLAND OIL, INC. (US) 1988-05-05 WO claimed
CN-87102399-A Tin or bismuth coordination catalyst and relative coating cause and solidify 1987-10-07 CN claimed
US-4517222-A Vaporous amine catalyst spray method of applying a film to a substrate ASHLAND OIL, INC. (US) 1985-05-14 US claimed
US-4179427-A FONDRIES, TERTIARY AMINE OR METAL ION CURING AGENT ASHLAND OIL, INC. (US) 1979-12-18 US claimed
US-4177349-A BY-PRODUCT INHIBITION REILLY TAR & CHEMICAL CORPORATION (US) 1979-12-04 US claimed
US-4009087-A N-HETERO AROMATIC, AND SULFOALKYL OR SULFOARYL SULFIDE M&T CHEMICALS INC. (US) 1977-02-22 US claimed