SCHEMBL11241853

SCHEMBL11241853

CC1(C)COC(CCCCn2ccnc2)(c2ccccc2)OC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
TBXAS1 P24557 4/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL11233658 0.96 CYP19A1 (0.45) CYP19A1TBXAS1CYP11B1CYP11B2MEN1
SCHEMBL11253540 0.91 TBXAS1 (0.45) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL11242340 0.89 QPCT (0.47) CYP19A1TBXAS1CYP11B1CYP11B2MEN1
SCHEMBL11244112 0.88 TP53 (0.47) CYP19A1CYP11B1CYP11B2
SCHEMBL11241969 0.88 CYP19A1 (0.48) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL11241810 0.86 MEN1 (0.52) MEN1LMNAKMT2A
SCHEMBL11241916 0.86 QPCT (0.48) CYP19A1TBXAS1CYP11B1CYP11B2MEN1
SCHEMBL11248543 0.85 CYP19A1 (0.46) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL11242901 0.85 QPCT (0.46) CYP19A1CYP11B1CYP11B2
SCHEMBL11259363 0.84 CYP19A1 (0.49) CYP19A1TBXAS1CYP11B1CYP11B2

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-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed