SCHEMBL9201425

SCHEMBL9201425

CC(=O)CC(c1ccc(Cl)cc1)n1ccnc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.55
CYP24A1 Q07973 6/20 0.52
CYP27B1 O15528 2/20 0.52
HSD17B10 Q99714 1/20 0.50
CYP17A1 P05093 6/20 0.49
CYP3A4 P08684 2/20 0.49
CYP26A1 O43174 2/20 0.48
MEN1 O00255 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL410598 0.86 CYP17A1 (0.56) CYP19A1CYP24A1CYP27B1CYP17A1
Hydrochloric Acid SCHEMBL3643107 0.85 CYP17A1 (0.48) CYP17A1CYP3A4
SCHEMBL9432260 0.83 CYP19A1 (0.58) CYP19A1CYP17A1
Hydrochloric Acid SCHEMBL3650043 0.82 CYP24A1 (0.53) CYP19A1CYP24A1CYP17A1CYP26A1
Hydrochloric Acid SCHEMBL3757776 0.81 CYP19A1 (0.60) CYP19A1CYP24A1CYP17A1CYP3A4CYP26A1
SCHEMBL19054886 0.77 CYP19A1 (0.55) CYP19A1HSD17B10CYP17A1CYP26A1
Hydrochloric Acid SCHEMBL3649216 0.76 CYP19A1 (0.56) CYP19A1CYP24A1CYP27B1CYP17A1CYP3A4
SCHEMBL8973344 0.76 CYP17A1 (0.71) CYP19A1CYP17A1CYP3A4
SCHEMBL18123005 0.76 CYP19A1 (0.59) CYP19A1CYP24A1CYP17A1CYP26A1MEN1
SCHEMBL20830319 0.76 CYP19A1 (0.59) CYP19A1CYP24A1CYP17A1CYP26A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649423-A1 PROCESS FOR PREPARING 1,3-DIOXOLANE DERIVATIVES. SYNTEX INC (US) 1995-04-26 EP disclosed
WO-1993025549-A1 PROCESS FOR PREPARING 1,3-DIOXOLANE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1993-12-23 WO disclosed