SCHEMBL11238567

SCHEMBL11238567

CCCOc1ccc(C2(CCCn3ccnc3)OCC(C)(C)CO2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 2/20 0.51
QPCT Q16769 1/20 0.50
GAA P10253 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
POLB P06746 1/20 0.47
NOS1 P29475 1/20 0.46

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
SCHEMBL11243548 0.94 ALDH1A1 (0.53) KDM4ELMNAALDH1A1QPCTGAA
SCHEMBL11239177 0.89 KDM4E (0.53) KDM4ELMNAALDH1A1QPCTGAA
SCHEMBL11249292 0.87 MEN1 (0.53) KDM4ELMNAALDH1A1QPCTGAA
SCHEMBL11241810 0.84 MEN1 (0.52) KDM4ELMNAALDH1A1QPCTGAA
SCHEMBL11241916 0.84 QPCT (0.48) KDM4EALDH1A1QPCTMEN1KMT2A
SCHEMBL11251785 0.83 KDM4E (0.49) KDM4ELMNAALDH1A1QPCTGAA
SCHEMBL11242901 0.83 QPCT (0.46) KDM4EALDH1A1QPCT
SCHEMBL11233658 0.82 CYP19A1 (0.45) LMNAMEN1KMT2A
SCHEMBL11241723 0.82 ALDH1A1 (0.54) KDM4ELMNAALDH1A1QPCTGAA
SCHEMBL11245761 0.81 LMNA (0.43) KDM4ELMNAQPCTGAAKMT2A

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