SCHEMBL25270

SCHEMBL25270

S=C(n1ccnc1)n1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.38
HSD17B10 Q99714 2/20 0.38
NFKB1 P19838 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
CYP19A1 P11511 1/20 0.36
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ENPP2 Q13822 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
TBXAS1 P24557 1/20 0.32
MAPT P10636 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.31

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
SCHEMBL28055211 0.97 QPCT (0.36) QPCTHSD17B10NFKB1QPCTLCYP19A1
Potassium Ion SCHEMBL28275079 0.95 HSD17B10 (0.35) QPCTHSD17B10NFKB1QPCTLCYP19A1
SCHEMBL16133373 0.91 FBP1 (0.36) QPCTHSD17B10NFKB1QPCTLCYP19A1
SCHEMBL12490284 0.84 FAAH (0.40) QPCTHSD17B10NFKB1QPCTLCYP19A1
SCHEMBL7812595 0.83 QPCT (0.38) QPCTHSD17B10NFKB1QPCTLCYP19A1
Imidazole SCHEMBL9377131 0.82 ALDH1A1 (0.48) QPCTHSD17B10NFKB1QPCTLALDH1A1
SCHEMBL255373 0.81
SCHEMBL13685027 0.81
SCHEMBL13003050 0.80 FAAH (0.35) HSD17B10NFKB1CYP19A1CYP3A4ALDH1A1
SCHEMBL3317956 0.79

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 7083 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250206737-A1 PROCESS FOR PREPARING TUCATINIB AND ITS HEMIETHANOLATE SCINOPHARM TAIWAN, LTD. (TW) 2025-06-26 US claimed
CN-116924914-B Novel anion detection reagent and application thereof 中国科学院化学研究所 2025-06-24 CN claimed
WO-2025067474-A1 PYRIDINE-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川大学华西医院 2025-04-03 WO claimed
WO-2025067473-A1 BENZENE RING-CONTAINING COMPOUND HAVING ANALGESIC EFFECT, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川大学华西医院 2025-04-03 WO claimed
WO-2025061177-A1 SMALL-MOLECULE DRUG FOR TREATING CGRP-RELATED DISORDER 成都康弘药业集团股份有限公司 2025-03-27 WO claimed
CN-115850233-B Synthesis method of apamide 南京方生和医药科技有限公司 2024-12-10 CN claimed
CN-119060130-A Self-assembled nano material for targeting hypoxic tumor cell membrane to prevent exosome from escaping, and preparation method and application thereof 国家纳米科学中心 2024-12-03 CN claimed
CN-118994104-A Compound serving as PARP-NAMPT double-target inhibitor and application thereof 天津市医药科学研究所(天津市医药与健康研究中心) 2024-11-22 CN claimed
CN-116120914-B Long-acting anti-sedimentation fracturing propping agent and preparation method and application thereof 中国石油天然气集团有限公司 2024-11-12 CN claimed
CN-118724862-A Isothiocyanate derivative of brefeldin A, preparation method and application thereof 沈阳药科大学 2024-10-01 CN claimed
EP-0066415-B1 N-(ARYLTHIOALKYL)-N'-(AMINOALKYL)UREAS A.H. ROBINS COMPANY, INCORPORATED (US) 1985-10-02 EP claimed
EP-0133248-A2 1,2,4-Triazol-1-yl-derivatives SHIONOGI & CO., LTD. (JP) 1985-02-20 EP claimed
US-4500540-A DIETETICS HOFFMANN-LA ROCHE INC. (US) 1985-02-19 US claimed
US-4490546-A Process for 4a'(R),5'-dihydromevinolin MERCK & CO., INC. (US) 1984-12-25 US claimed
US-4443373-A Process for the production of antibiotic penems SCHERING CORPORATION (US) 1984-04-17 US claimed
US-4418193-A Method of producing 2-epi-fortimicin A ABBOTT LABORATORIES (US) 1983-11-29 US claimed
EP-0085760-A2 Novel 1-4-bis(substituted-amino)-5,8-dihydroxyanthraquinones and leuco bases thereof AMERICAN CYANAMID COMPANY (US) 1983-08-17 EP claimed
EP-0082808-A1 Novel ergolinyl compounds nitrogen-substituted in the 8-position, their preparation, and use as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1983-06-29 EP claimed
US-4272626-A MULTISTEP FROM 1-EPI-2-DEOXY-2-OXO-TETRA-N-BENZYLOXYCARBONYLFORTIMICIN A VIA THE 2-THIOCARBONYLIMIDAZOLIDE ABBOTT LABORATORIES (US) 1981-06-09 US claimed
US-4207415-A Method of producing 2-deoxyfortimicin A ABBOTT LABORATORIES (US) 1980-06-10 US claimed