SCHEMBL11243314

SCHEMBL11243314

CCCOc1ccc(C2(CCn3ccnc3)OC(C)C(C)O2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.49
QPCT Q16769 1/20 0.48
TBXAS1 P24557 6/20 0.48
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
NOS1 P29475 1/20 0.46
CYP19A1 P11511 1/20 0.46
LTA4H P09960 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
SCHEMBL11243811 0.86 MEN1 (0.51) ALDH1A1KDM4EMAPK1QPCTGAA
SCHEMBL11241723 0.83 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPK1QPCT
SCHEMBL11243548 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAMAPK1QPCT
SCHEMBL11246686 0.82 TP53 (0.47) ALDH1A1KDM4EQPCTCYP19A1
SCHEMBL11241448 0.82 QPCT (0.46) ALDH1A1KDM4EQPCTMEN1KMT2A
SCHEMBL11243518 0.81 TBXAS1 (0.47) ALDH1A1MAPK1QPCTTBXAS1MEN1
SCHEMBL11251785 0.81 KDM4E (0.49) ALDH1A1KDM4ELMNAQPCTGAA
SCHEMBL11249800 0.80 MEN1 (0.55) ALDH1A1KDM4ELMNAQPCTGAA
SCHEMBL11244013 0.79 LMNA (0.42) ALDH1A1KDM4ELMNAQPCTCYP19A1
SCHEMBL11243657 0.79 MEN1 (0.54) ALDH1A1KDM4ELMNAQPCTGAA

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