SCHEMBL22358

SCHEMBL22358

COc1ccc2nc(N)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 1.00
CYP1A2 P05177 2/20 1.00
CYP2C19 P33261 1/20 1.00
TP53 P04637 3/20 0.69
HSD17B10 Q99714 2/20 0.69
TSHR P16473 2/20 0.69
ALDH1A1 P00352 1/20 0.69
RAB9A P51151 7/20 0.64
NPC1 O15118 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
MAPT P10636 4/20 0.64
HTT P42858 2/20 0.64
GAA P10253 2/20 0.64
SCN4A P35499 2/20 0.64
GMNN O75496 1/20 0.64
USP2 O75604 1/20 0.64
LMNA P02545 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CYP2C9 P11712 1/20 0.64
PKM P14618 1/20 0.64

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
SCHEMBL29683488 1.00 CYP3A4 (1.00) CYP3A4CYP1A2CYP2C19TP53HSD17B10
Ammonia Solution, Strong SCHEMBL7998249 0.98 CYP3A4 (0.97) CYP3A4CYP1A2CYP2C19TP53HSD17B10
Hydrochloric Acid SCHEMBL11423357 0.98 CYP3A4 (0.97) CYP3A4CYP1A2CYP2C19TP53HSD17B10
Hydrochloric Acid SCHEMBL11151690 0.98 CYP3A4 (0.97) CYP3A4CYP1A2CYP2C19TP53HSD17B10
SCHEMBL7286497 0.90 CYP3A4 (0.82) CYP3A4CYP1A2CYP2C19TP53HSD17B10
SCHEMBL13862776 0.87 CYP3A4 (0.77) CYP3A4CYP1A2CYP2C19TP53HSD17B10
SCHEMBL31114769 0.87 CYP3A4 (0.77) CYP3A4CYP1A2CYP2C19TP53HSD17B10
SCHEMBL73908 0.86 CYP3A4 (0.75) CYP3A4CYP1A2CYP2C19TP53HSD17B10
SCHEMBL29751964 0.86 CYP3A4 (0.75) CYP3A4CYP1A2CYP2C19TP53HSD17B10
SCHEMBL20568080 0.85 RAB9A (0.84) CYP3A4CYP1A2CYP2C19TP53HSD17B10

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 1685 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119020-A Benzothiazole-carbazole heterobody derivative and preparation method and application thereof 浙江药科职业大学 2024-12-13 CN claimed
CN-118795068-A Method for efficiently and rapidly detecting 41 primary aromatic amine compounds in serum and application 中山大学 2024-10-18 CN claimed
US-11897995-B2 Allophanate based dispersing agent BASF SE (DE) 2024-02-13 US claimed
CN-117298108-A Androgen receptor and glucocorticoid receptor dual-target inhibitor and application thereof 浙江师范大学 2023-12-29 CN claimed
CN-117209448-A Process for the preparation of (benzo) thiazole-containing thio/selenoacetamides and derivatives thereof 济宁医学院 2023-12-12 CN claimed
CN-117126119-A Preparation method of (benzo) thiazole amide-containing compound 济宁医学院 2023-11-28 CN claimed
CN-116718689-A Method for simultaneously and rapidly quantitatively detecting 41 primary aromatic amine compounds 中山大学 2023-09-08 CN claimed
CN-116217514-A Diazotization process of 2-amino-6-methoxybenzothiazole 山东特创新材料科技有限公司 2023-06-06 CN claimed
CN-115466960-B Preparation method and application of benzothiazole group-containing modified polyaspartic acid fluorescent corrosion inhibitor 河北工业大学 2023-05-26 CN claimed
CN-112125926-B Novel chlorine-containing carboxylic acid metal complex, preparation method and application thereof 广西民族师范学院 2023-04-25 CN claimed
US-4925926-A Preparation of cationic azo or hydrazone dyes in which the alkylation and the separation of the cationic dye are carried out continuously CIBA-GEIGY CORPORATION (US) 1990-05-15 US claimed
EP-0311157-A1 Dispersant EFKA-CHEMICALS B.V. (NL) 1989-04-12 EP claimed
EP-0072621-B1 ALKYLENEOXY COMPOUNDS, THEIR PREPARATION AND THEIR USE AS FUGITIVE TINTS MILLIKEN RESEARCH CORPORATION (US) 1985-04-24 EP claimed
US-4496727-A ORGANIC PIGMENTS; PLASTICS; LACQUERS; INKS; COATINGS; COLOR FASTNESS CIBA-GEIGY CORPORATION (US) 1985-01-29 US claimed
US-4385174-A FOR PIGMENTS CIBA-GEIGY CORPORATION (US) 1983-05-24 US claimed
EP-0072621-A1 Alkyleneoxy compounds, their preparation and their use as fugitive tints MILLIKEN RESEARCH CORPORATION (US) 1983-02-23 EP claimed
US-4349671-A Process for the production of metal complexes of isoindoline azines CIBA-GEIGY CORPORATION (US) 1982-09-14 US claimed
EP-0039809-A2 2-Amino-5-halogen-benzothiazoles, process for preparing them and medicines containing them Dr. Karl Thomae GmbH (DE) 1981-11-18 EP claimed
US-4288362-A Monoazo pigments containing a quinazo linonylacetoacetanilide coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 US claimed
US-3933498-A Fogged, direct positive silver halide emulsions containing a bleach inhibiting compound and a Dmin maintainer compound E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-20 US claimed