SCHEMBL29432549

SCHEMBL29432549

Nc1nsc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 1.00
▸ MAPT P10636 3/20 1.00
▸ ALDH1A1 P00352 2/20 1.00
▸ HSD17B10 Q99714 1/20 1.00
▸ TLR4 O00206 1/20 0.50
▸ EPAS1 Q99814 9/20 0.47
▸ PDPK1 O15530 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ LIMK1 P53667 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ GPR3 P46089 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38

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
SCHEMBL290849 1.00 KDM4E (1.00) KDM4EMAPTALDH1A1HSD17B10TLR4
Hydrochloric Acid SCHEMBL28576259 0.98 KDM4E (0.95) KDM4EMAPTALDH1A1HSD17B10TLR4
Hydrochloric Acid SCHEMBL28576260 0.98 KDM4E (0.95) KDM4EMAPTALDH1A1HSD17B10TLR4
SCHEMBL11510669 0.88 KDM4E (0.78) KDM4EMAPTALDH1A1HSD17B10TLR4
SCHEMBL329569 0.76 MAPT (0.61) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL30987223 0.75 MAPT (0.60) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL28563540 0.75 MAPT (0.60) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL11704181 0.73 MAPT (0.57) KDM4EMAPTALDH1A1HSD17B10TLR4
SCHEMBL6825021 0.73 MAPT (0.57) KDM4EMAPTALDH1A1HSD17B10TLR4
SCHEMBL3995672 0.73 MAPT (0.57) KDM4EMAPTALDH1A1HSD17B10EPAS1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119403800-A Compounds and their use as LPAR5 antagonists 艾美斐生物医药科技(上海)有限公司 2025-02-07 — — CN disclosed
EP-4486742-A1 COMPOUNDS AND THEIR USES AS LPAR5 ANTAGONISTS IMMUNOPHAGE BIOTECH (SHANGHAI) CO., LTD. (CN) 2025-01-08 — — EP disclosed
WO-2024201248-A1 COMPOUNDS AND METHODS FOR DEGRADING GSPT1 PIN THERAPEUTICS, INC. (KR) 2024-10-03 — — WO disclosed
CN-115872947-B Benzisothiazole benzamide compound or pharmaceutically acceptable salt thereof, preparation method and application 中国药科大学 2024-04-19 — — CN disclosed
CN-117771910-A Chloromethane tail gas recovery processing system 安徽英特力工业工程技术有限公司 2024-03-29 — — CN disclosed
CN-117732223-A Chloromethane tail gas recovery treatment process for BIT and BBIT chlorination reaction section 安徽英特力工业工程技术有限公司 2024-03-22 — — CN disclosed
JP-2023136302-A 3-AMINOBENZOISOTHIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREOF 富士フイルム株式会社 2023-09-29 — — JP disclosed
CN-113861181-B Polysubstituted isothiazole derivative and preparation method thereof 云南大学 2023-09-12 — — CN disclosed
CN-111971277-B Benzothiophenes and related compounds as STING agonists 默沙东有限责任公司 2023-06-06 — — CN disclosed
CN-113773273-B Benzisothiazole compound, preparation method and application thereof 沈阳药科大学 2023-04-11 — — CN disclosed
WO-2022251359-A1 BICYCLIC INHIBITORS OF ALK5 AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-12-01 — — WO disclosed
EP-3765449-A4 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS Aerie Pharmaceuticals, Inc. (US) 2022-03-30 — — EP disclosed
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