SCHEMBL98455

SCHEMBL98455

O=Cc1cc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 1.00
MAPT P10636 2/20 0.56
IDO1 P14902 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
AMY1A P0DUB6 1/20 0.49
FLT3 P36888 1/20 0.48
AOC3 Q16853 2/20 0.48
MAOB P27338 1/20 0.47
DAO P14920 2/20 0.47

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
Water SCHEMBL28244827 0.98 CYP2A6 (0.96) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL28124569 0.98 CYP2A6 (0.96) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL28098011 0.98 CYP2A6 (0.96) CYP2A6MAPTIDO1NPSR1CYP1A2
Hydrochloric Acid SCHEMBL28307952 0.98 CYP2A6 (0.96) CYP2A6MAPTIDO1NPSR1CYP1A2
Hydrochloric Acid SCHEMBL28197888 0.96 CYP2A6 (0.92) CYP2A6MAPTIDO1NPSR1CYP1A2
Bromomethane SCHEMBL28755974 0.94 CYP2A6 (0.89) CYP2A6MAPTIDO1NPSR1CYP1A2
Pyrrole SCHEMBL27718106 0.91 CYP2A6 (0.82) CYP2A6MAPTIDO1NPSR1CYP1A2
Adamantane SCHEMBL28628970 0.89 CYP2A6 (0.79) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL28327674 0.89 CYP2A6 (0.79) CYP2A6MAPTIDO1NPSR1CYP1A2
Indole SCHEMBL5851073 0.88 CYP2A6 (0.77) CYP2A6MAPTIDO1NPSR1CYP1A2

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

Appears in 2678 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12584168-B2 Sample preparation method OXFORD NANOPORE TECHNOLOGIES PLC (GB) 2026-03-24 US claimed
US-20260053887-A1 Methods and Kits to Prevent And/Or Treat Cardiac Disorders UNIV IOWA RES FOUND (US) 2026-02-26 US claimed
CN-119053336-A Compositions and methods for treating autoimmune disorders 密执安大学评议会 2024-11-29 CN claimed
CN-118792197-A Lactobacillus for producing indole derivatives and application thereof 山东省食品发酵工业研究设计院 2024-10-18 CN claimed
WO-2024187115-A2 PRODUCTION OF INDOLE-DERIVED METABOLITES BY SHELF-STABLE COMMUNITIES OF SAFE BACTERIA Imvela Corp. (US) 2024-09-12 WO claimed
WO-2024173808-A1 MICROBIOME-DERIVED COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF VIRAL INFECTIONS DUKE UNIVERSITY (US) 2024-08-22 WO claimed
US-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-06-04 US claimed
CN-113666862-B Method for preparing chiral 3-nitroindole compounds through nickel-catalyzed asymmetric nitration reaction 山东大学 2024-05-31 CN claimed
CN-117924289-A Compound with indolo-cycloheptane skeleton, and preparation method and application thereof 郑州轻工业大学 2024-04-26 CN claimed
CN-117800978-A Evodiamine analogue, and preparation method and application thereof 桂林理工大学 2024-04-02 CN claimed
US-4932977-A Indole-aldehyde hair dyes CLAIROL INCORPORATED (US) 1990-06-12 US claimed
EP-0370492-A1 Indole-aldehyde hair dyes Bristol-Myers Squibb Company (US) 1990-05-30 EP claimed
EP-0362695-A1 Pyrrolocarbazole derivatives, processes for their preparation and their use as medicaments GÖDECKE AKTIENGESELLSCHAFT (DE) 1990-04-11 EP claimed
US-4885302-A 2-((4-Piperidyl)methyl)-1,2,3,4-tetrahydroisoquinoline derivatives, their preparation and their application in therapy SYNTHELABO, 58, RUE DE LA GLACIERE - 75013 PARIS 1989-12-05 US claimed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed
US-4775747-A PIGMENTS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1988-10-04 US claimed
EP-0099057-B1 N-ACYL DERIVATIVES OF PEPTIDES, THEIR MANUFACTURE AND USE IN COMBATING DISEASES AND MEANS THEREFOR BASF Aktiengesellschaft (DE) 1987-10-14 EP claimed
US-4314058-A Indolins styryl-like compounds MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1982-02-02 US claimed
US-4053624-A HYPOGLYCEMIC AGENTS BOEHRINGER MANNHEIM GMBH (DT) 1977-10-11 US claimed