SCHEMBL120088

SCHEMBL120088

c1cncc(-c2cccnc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 10/20 1.00
CYP3A4 P08684 4/20 1.00
ALDH1A1 P00352 2/20 1.00
CYP1A2 P05177 1/20 1.00
KDM4E B2RXH2 1/20 0.70
LMNA P02545 1/20 0.70
TP53 P04637 1/20 0.70
MAPT P10636 1/20 0.70
HPGD P15428 1/20 0.70
ALOX15 P16050 1/20 0.70
HTT P42858 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
HSD17B10 Q99714 1/20 0.70
CYP2B6 P20813 4/20 0.62
MKNK1 Q9BUB5 3/20 0.62
MKNK2 Q9HBH9 3/20 0.62
CYP2C9 P11712 3/20 0.62
CYP2C19 P33261 2/20 0.62
MEN1 O00255 1/20 0.62
PSIP1 O75475 1/20 0.62

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
SCHEMBL30473120 1.00 CYP2A6 (1.00) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL29419014 1.00 CYP2A6 (1.00) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
Benzene SCHEMBL27934930 0.97 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
Hydrochloric Acid SCHEMBL4831090 0.97 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
Phosphine SCHEMBL28126457 0.97 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL28275760 0.97 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL28301145 0.97 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL27812368 0.97 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL28247322 0.97 CYP2A6 (0.94) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL24534338 0.94 CYP2A6 (0.88) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E

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 4698 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12582062-B2 Hybrid rice RT23M402 RICETEC, INC. (US) 2026-03-24 US claimed
US-12576387-B2 Porous metal-organic framework, method for producing the same, adsorbent, and method for separating carbon dioxide KABUSHIKI KAISHA TOSHIBA (JP) 2026-03-17 US claimed
US-12575519-B2 Rice cultivar RT22J502 RICETEC, INC. (US) 2026-03-17 US claimed
US-12564190-B2 Biobased herbicide enhancer agent and method for using the same FYTEKO SA (BE) 2026-03-03 US claimed
EP-3710422-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY AND DIASTEREOMERICALLY ENRICHED CYCLOBUTANE AMINES AND AMIDES SYNGENTA CROP PROTECTION AG (CH) 2026-01-07 EP claimed
US-20250287942-A1 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-09-18 US claimed
US-12382893-B2 Rice cultivar RT22L501 RICETEC, INC. (US) 2025-08-12 US claimed
EP-4391811-B1 BIOBASED HERBICIDE ENHANCER AGENT AND METHOD FOR USING THE SAME FYTEKO SA (BE) 2025-06-04 EP claimed
CN-120022744-A Loose nanofiltration membrane for salt dyeing separation and preparation method thereof 常州大学 2025-05-23 CN claimed
CN-119100982-B Preparation method and application of supermolecule host-guest fluorescence sensing system 中国标准化研究院 2025-04-18 CN claimed
WO-1979000838-A1 NEW PLANT TECHNIQUE SAMPSON MICHAEL JAMES (GB) 1979-10-18 WO claimed
US-4160017-A EMETIC AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-03 US claimed
US-4153444-A Herbicidal composition KUMIAI CHEMICAL INDUSTRY COMPANY, LTD. (JP) 1979-05-08 US claimed
US-4118218-A HERBICIDES, COATING SOLID DILUENT PARTICLES WITH A BIPYRIDYLIUM DIQUATERNARY SALT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-10-03 US claimed
US-4090328-A Method and apparatus for treating trees HERCULES INCORPORATED (US) 1978-05-23 US claimed
US-4061638-A Organocalciumpyridine-type polymerization initiators PHILLIPS PETROLEUM COMPANY (US) 1977-12-06 US claimed
US-4028091-A BIPYRIDYLIUM SALTS AND A THIOCARBAMATE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JA) 1977-06-07 US claimed
US-4013572-A Hybrid fix system incorporating photodegradable polymers XEROX CORPORATION (US) 1977-03-22 US claimed
US-3997708-A ADDITION PHILLIPS PETROLEUM COMPANY (US) 1976-12-14 US claimed
US-3971159-A Treatment of conifers HERCULES INCORPORATED (US) 1976-07-27 US claimed