SCHEMBL6521386

SCHEMBL6521386

OC(c1cncnc1)(c1ccccc1Cl)c1ccccc1Cl

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.79
CYP3A4 P08684 2/20 0.56
CYP3A5 P20815 2/20 0.56
KCNN4 O15554 1/20 0.40

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
SCHEMBL27282170 0.91 CYP19A1 (0.82) CYP19A1CYP3A4CYP3A5KCNN4
Fenarimol SCHEMBL30412723 0.89 CYP19A1 (1.00) CYP19A1CYP3A4CYP3A5
Fenarimol SCHEMBL8360554 0.89 CYP19A1 (1.00) CYP19A1CYP3A4CYP3A5
Fenarimol SCHEMBL6577573 0.89 CYP19A1 (1.00) CYP19A1CYP3A4CYP3A5
Fenarimol SCHEMBL42209 0.89 CYP19A1 (1.00) CYP19A1CYP3A4CYP3A5
Fenarimol SCHEMBL8300815 0.87 CYP19A1 (0.97) CYP19A1CYP3A4CYP3A5
Fenarimol SCHEMBL7190386 0.87 CYP19A1 (0.97) CYP19A1CYP3A4CYP3A5
Nuarimol SCHEMBL20691 0.86 CYP19A1 (0.78) CYP19A1CYP3A4CYP3A5
Nuarimol SCHEMBL29484440 0.86 CYP19A1 (0.78) CYP19A1CYP3A4CYP3A5
Nuarimol SCHEMBL8818865 0.86 CYP19A1 (0.78) CYP19A1CYP3A4CYP3A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569971-A1 COPOLYMERS BASED ON N-VINYLAMIDE AS ADJUVANTS AND AGENTS FOR USING IN THE AGROTECHNICAL FIELD BASF AKTIENGESELLSCHAFT (DE) 2005-09-07 EP disclosed
WO-2004050730-A1 COPOLYMERS BASED ON N-VINYLAMIDE AS ADJUVANTS AND AGENTS FOR USING IN THE AGROTECHNICAL FIELD BASF AKTIENGESELLSCHAFT (DE) 2004-06-17 WO disclosed
US-5571829-A CYTOCHROME P450 ENZYME INHIBITOR AND AN N,N'-DIBENZOYL-N'-TERT-ALKYL-HYDRAZINE ROHM AND HAAS COMPANY (US) 1996-11-05 US disclosed
US-5510363-A COMPRISING DINICONAZOLE ENZYME INHIBITOR ROHM AND HAAS COMPANY (US) 1996-04-23 US disclosed
US-5506251-A APPLYING N'-(3,5-DIMETHYLBENZOYL)-N-(4-ETHYLBENZOYL)-N'-TERT-BUTYL HYDRAZINE AND A CYTOCHROME P450 ENZYME INHIBITOR: FENBUCONAZOLE OR MYCLOBUTANIL ROHM AND HAAS COMPANY (US) 1996-04-09 US disclosed