SCHEMBL11233658

SCHEMBL11233658

CC1(C)COC(CCCn2ccnc2)(c2ccccc2)OC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
TBXAS1 P24557 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PRKCI P41743 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 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
SCHEMBL11241853 0.96 CYP19A1 (0.44) CYP19A1TBXAS1CYP11B1CYP11B2MEN1
SCHEMBL11253540 0.93 TBXAS1 (0.45) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL11241916 0.89 QPCT (0.48) CYP19A1TBXAS1CYP11B1CYP11B2PRKCI
SCHEMBL11242901 0.88 QPCT (0.46) CYP19A1CYP11B1CYP11B2
SCHEMBL11259363 0.87 CYP19A1 (0.49) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL11245761 0.86 LMNA (0.43) CYP19A1TBXAS1PRKCIKMT2ALMNA
SCHEMBL11249292 0.86 MEN1 (0.53) MEN1KMT2ALMNA
SCHEMBL11242340 0.86 QPCT (0.47) CYP19A1TBXAS1CYP11B1CYP11B2PRKCI
SCHEMBL11247642 0.85 CYP19A1 (0.47) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL11244112 0.85 TP53 (0.47) CYP19A1CYP11B1CYP11B2

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