SCHEMBL11241723

SCHEMBL11241723

CCCOc1ccc(C2(CCn3ccnc3)OCCCO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.48
TBXAS1 P24557 7/20 0.47
QPCT Q16769 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
NOS1 P29475 1/20 0.46
CYP19A1 P11511 1/20 0.45
LTA4H P09960 1/20 0.45

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
SCHEMBL11239177 0.94 KDM4E (0.53) ALDH1A1KDM4ELMNAQPCTGAA
SCHEMBL11243548 0.88 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAMAPK1TBXAS1
SCHEMBL11237045 0.86 MEN1 (0.50) ALDH1A1KDM4EMAPK1TBXAS1QPCT
SCHEMBL11243314 0.83 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAMAPK1TBXAS1
SCHEMBL11243919 0.83 QPCT (0.45) ALDH1A1KDM4EQPCTMEN1KMT2A
SCHEMBL11238567 0.82 KDM4E (0.52) ALDH1A1KDM4ELMNAQPCTGAA
SCHEMBL11237122 0.82 MEN1 (0.52) ALDH1A1KDM4EMAPK1TBXAS1QPCT
SCHEMBL11244362 0.80 QPCT (0.47) ALDH1A1KDM4EQPCTCYP19A1
SCHEMBL11236630 0.80 MEN1 (0.54) ALDH1A1KDM4ELMNAQPCTGAA
SCHEMBL11229655 0.80 TBXAS1 (0.47) ALDH1A1MAPK1TBXAS1QPCTKMT2A

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