SCHEMBL11052688

SCHEMBL11052688

COC(OC)C(C)n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.43
CYP17A1 P05093 4/20 0.39
CYP26A1 O43174 3/20 0.37
KMT2A Q03164 2/20 0.36
NFKB1 P19838 1/20 0.34
QPCT Q16769 1/20 0.34
HSD17B10 Q99714 1/20 0.34
QPCTL Q9NXS2 1/20 0.34

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
SCHEMBL26793524 0.80 CYP19A1 (0.41) CYP19A1CYP17A1CYP26A1KMT2A
SCHEMBL425206 0.78
SCHEMBL9133758 0.78 CYP19A1 (0.50) CYP19A1CYP17A1CYP26A1KMT2ANFKB1
SCHEMBL22604081 0.78 CYP19A1 (0.50) CYP19A1CYP17A1CYP26A1KMT2ANFKB1
SCHEMBL21900876 0.78 CYP19A1 (0.50) CYP19A1CYP17A1CYP26A1KMT2ANFKB1
Water SCHEMBL28029306 0.76 CYP19A1 (0.48) CYP19A1CYP17A1CYP26A1KMT2ANFKB1
SCHEMBL1406898 0.76 CYP19A1 (0.47) CYP19A1CYP17A1CYP26A1KMT2ANFKB1
Iodide SCHEMBL1744365 0.76 CYP19A1 (0.48) CYP19A1CYP17A1CYP26A1KMT2ANFKB1
Hydrochloric Acid SCHEMBL28428350 0.76 CYP19A1 (0.48) CYP19A1CYP17A1CYP26A1KMT2ANFKB1
Bromide SCHEMBL28092800 0.76 CYP19A1 (0.48) CYP19A1CYP17A1CYP26A1KMT2ANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4450277-A Preparation of 1-substituted imidazoles BASF AKTIENGESELLSCHAFT (DE) 1984-05-22 US disclosed
EP-0026908-B1 PROCESS FOR PREPARING 1-SUBSTITUTED IMIDAZOLES BASF Aktiengesellschaft (DE) 1983-06-22 EP disclosed
EP-0026908-A1 Process for preparing 1-substituted imidazoles BASF Aktiengesellschaft (DE) 1981-04-15 EP disclosed