SCHEMBL443799

SCHEMBL443799

c1ccc(-c2ccc3cc[nH]c3c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.71
ADORA2A P29274 1/20 0.58
ADORA1 P30542 1/20 0.58
GHSR Q92847 2/20 0.56
AHR P35869 4/20 0.52
TRPA1 O75762 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
ADK P55263 1/20 0.52
FGFR1 P11362 1/20 0.52
CMA1 P23946 1/20 0.50
TYR P14679 1/20 0.50
ENPP2 Q13822 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL30253604 1.00 NPC1 (0.71) NPC1ADORA2AADORA1GHSRAHR
SCHEMBL7088159 0.96 NPC1 (0.67) NPC1ADORA2AADORA1GHSRAHR
SCHEMBL7084471 0.86 NPC1 (0.58) NPC1ADORA2AADORA1GHSRAHR
SCHEMBL7091322 0.86 NPC1 (0.54) NPC1ADORA2AADORA1GHSRAHR
SCHEMBL446619 0.83 NPC1 (1.00) NPC1AHRTRPA1CA1CA2
SCHEMBL30587350 0.83 NPC1 (1.00) NPC1AHRTRPA1CA1CA2
Quinoline SCHEMBL27740778 0.83 NPC1 (0.51) NPC1ADORA2AADORA1GHSRAHR
Biphenyl SCHEMBL27962709 0.82 AHR (0.78) NPC1ADORA2AADORA1GHSRAHR
SCHEMBL24601496 0.82 NPC1 (0.50) NPC1ADORA2AADORA1GHSRAHR
SCHEMBL1225643 0.82 TYR (0.70) NPC1AHRFGFR1CMA1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109575034-A The method of level-one amine guiding building 6- Phenylindole simultaneously [1,2-a] quinoxaline 桂林理工大学 2019-04-05 CN claimed
CN-106866664-A A kind of synthetic method of 6 Phenylindoles [2,1 a] isoquinoline compound 华南理工大学 2017-06-20 CN claimed
CN-105939715-A Fixed dose combinations of antiviral compounds 默沙东公司 2016-09-14 CN claimed
US-20250263760-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-08-21 US disclosed
US-12319946-B2 Methods for producing modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-06-03 US disclosed
CN-119822910-A Method for catalyzing heterogeneous reduction of nitrogen-containing heterocyclic compound by using magnesium metal 延安大学 2025-04-15 CN disclosed
CN-119490487-A Polysubstituted tetrahydrocarbazole compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-02-21 CN disclosed
CN-119157834-A Bakuchiol micelle entrapped by stearic acid modified cistanche polysaccharide and application thereof 山东省食品药品检验研究院 2024-12-20 CN disclosed
EP-4447954-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS Icahn School of Medicine at Mount Sinai (US) 2024-10-23 EP disclosed
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
EP-0595924-A4 PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LAB (US) 1994-08-24 EP disclosed
EP-0574494-A4 INDOLES USEFUL AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LAB (US) 1994-07-06 EP disclosed
EP-0595924-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1994-05-11 EP disclosed
EP-0574494-A1 INDOLES USEFUL AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-12-22 EP disclosed
WO-1993001813-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-02-04 WO disclosed
WO-1992014732-A1 INDOLES USEFUL AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1992-09-03 WO disclosed
EP-0499987-A1 Platelet activating factor antagonists ABBOTT LABORATORIES (US) 1992-08-26 EP disclosed
US-4812162-A PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-03-14 US disclosed
EP-0274825-A2 Indole derivatives and their uses in agriculture ZENECA LIMITED (GB) 1988-07-20 EP disclosed