SCHEMBL11238178

SCHEMBL11238178

CC1OC(CCCCn2ccnc2)(c2ccccc2)OC1C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TBXAS1 P24557 4/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL11239956 0.96 CYP19A1 (0.47) CYP19A1MEN1KMT2ATBXAS1LMNA
SCHEMBL11243518 0.91 TBXAS1 (0.47) CYP19A1MEN1KMT2ATBXAS1MAPK1
SCHEMBL11237998 0.89 TP53 (0.50) CYP19A1TBXAS1
SCHEMBL11243839 0.89 QPCT (0.49) CYP19A1MEN1KMT2ATBXAS1MAPK1
SCHEMBL11243657 0.86 MEN1 (0.54) MEN1KMT2ALMNA
SCHEMBL11243953 0.85 TP53 (0.48) CYP19A1
SCHEMBL11239378 0.85 QPCT (0.50) CYP19A1MEN1KMT2ATBXAS1MAPK1
SCHEMBL11242355 0.85 HMOX1 (0.45) CYP19A1MEN1KMT2ATBXAS1LMNA
SCHEMBL11241969 0.82 CYP19A1 (0.48) CYP19A1TBXAS1
SCHEMBL11249800 0.82 MEN1 (0.55) MEN1KMT2ALMNA

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