SCHEMBL97208

SCHEMBL97208

O=Cc1ccc2[nH]ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 1.00
AHR P35869 3/20 0.50
NR4A2 P43354 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
F7 P08709 1/20 0.50
LTA4H P09960 1/20 0.50
F3 P13726 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
RAD51 Q06609 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 2/20 0.47
HDAC2 Q92769 1/20 0.46

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
SCHEMBL31341461 1.00 CYP2A6 (1.00) CYP2A6AHRNR4A2GRIN2DGRIN3B
Acetonitrile SCHEMBL29085280 0.89 CYP2A6 (0.80) CYP2A6AHRNR4A2GRIN2DGRIN3B
SCHEMBL23612189 0.85 CYP2A6 (0.73) CYP2A6AHRNR4A2GRIN2DGRIN3B
SCHEMBL29952226 0.85 CYP2A6 (0.73) CYP2A6AHRNR4A2F7LTA4H
SCHEMBL11008 0.85 CYP2A6 (0.73) CYP2A6AHRNR4A2F7LTA4H
SCHEMBL97060 0.83 CYP2A6 (1.00) CYP2A6AHRMAPTALDH1A1KIF11
SCHEMBL28202524 0.83 CYP2A6 (0.70) CYP2A6AHRNR4A2GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL31208108 0.82 CYP2A6 (0.96) CYP2A6AHRGRIN2DGRIN3BGRIN1
SCHEMBL3698604 0.81 CYP2A6 (0.67) CYP2A6MAPTHDAC2NPC1CA12
SCHEMBL29953011 0.81 CYP2A6 (0.67) CYP2A6MAPTHDAC2NPC1CA12

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 1375 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117723688-B Pretreatment method and detection method for indole substances in aquatic products 浙江省食品药品检验研究院 2026-05-12 CN claimed
WO-2025132708-A1 ANTISENSE OLIGONUCLEOTIDES FOR THE TREATMENT OF HUNTINGTON'S DISEASE PROQR THERAPEUTICS II B.V. (NL) 2025-06-26 WO claimed
CN-120136781-A ROR 1-targeted inhibitor and synthesis method and application thereof 北京大学 2025-06-13 CN claimed
WO-2025104239-A1 ANTISENSE OLIGONUCLEOTIDES FOR THE TREATMENT OF CLASSIC GALACTOSEMIA PROQR THERAPEUTICS II B.V. (NL) 2025-05-22 WO claimed
EP-4555086-A1 OLIGONUCLEOTIDES FOR ADAR-MEDIATED RNA EDITING AND USE THEREOF ProQR Therapeutics II B.V. (NL) 2025-05-21 EP claimed
CN-118978687-B Preparation method of modified mercaptan curing agent and application of modified mercaptan curing agent in epoxy resin 广州飞思合成材料有限公司 2025-04-01 CN claimed
CN-115872916-B Method for synthesizing indole-5-formaldehyde compound based on micro-channel reactor 华东理工大学 2025-03-25 CN claimed
CN-119619248-A Polarity-reversal photoelectrode constructed by participation of polybenzazole-5-formaldehyde, preparation method and application thereof 广西民族师范学院 2025-03-14 CN claimed
CN-119192057-A Cyanine-like fluorescent probe and synthetic method and application thereof 福建师范大学 2024-12-27 CN claimed
CN-119080667-A Aminoguanidine indole derivative and preparation method and application thereof 中国农业科学院兰州畜牧与兽药研究所 2024-12-06 CN claimed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP claimed
EP-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 EP claimed
EP-0455510-B1 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion LILLY CO ELI (US) 1996-11-27 EP claimed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 EP claimed
US-5096908-A 5-HT1A agonist ELI LILLY AND COMPANY (US) 1992-03-17 US claimed
US-4945096-A Treatment of a depressive state with 2-[(4-piperidyl)methyl]-1,2,3,4-tetrahydroisoquinoline derivates SYNTHELABO (FR) 1990-07-31 US 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
EP-0180813-B1 CHROMOGENIC 4,4-DIARYLDIHYDROCHINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1988-06-01 EP claimed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 EP claimed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP claimed