SCHEMBL11242363

SCHEMBL11242363

CCCCOc1ccc(CC2(CCn3ccnc3)OCCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.49
QPCT Q16769 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ATM Q13315 1/20 0.47
CYP19A1 P11511 1/20 0.47
LTA4H P09960 1/20 0.46
POLB P06746 1/20 0.46
TBXAS1 P24557 1/20 0.45
NOS1 P29475 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL11239428 0.96 KDM4E (0.52) KDM4ELMNAALDH1A1QPCTKMT2A
SCHEMBL11233797 0.89 KDM4E (0.49) KDM4ELMNAALDH1A1QPCTKMT2A
SCHEMBL11236581 0.88 KDM4E (0.48) KDM4ELMNAALDH1A1QPCTKMT2A
SCHEMBL11231921 0.88 KDM4E (0.48) KDM4ELMNAALDH1A1QPCTKMT2A
SCHEMBL11247617 0.87 MEN1 (0.48) LMNAQPCTKMT2AMEN1ATM
SCHEMBL11241349 0.84 HMOX1 (0.52) KDM4ELMNAALDH1A1QPCTKMT2A
SCHEMBL11243106 0.83 CYP19A1 (0.49) ALDH1A1QPCTCYP19A1POLB
SCHEMBL11243335 0.83 HMOX1 (0.61)
SCHEMBL11244363 0.83 MEN1 (0.52) LMNAALDH1A1QPCTKMT2AMEN1
SCHEMBL11246746 0.82 MEN1 (0.50) LMNAKMT2AMEN1ATMCYP19A1

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