SCHEMBL11239765

SCHEMBL11239765

CCCC1(CCC)COC(CCn2ccnc2)(Cc2cccc(OC)c2)OC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 2/20 0.40
QPCT Q16769 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP19A1 P11511 3/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL11246053 0.91 IDO1 (0.40) ALDH1A1IDO1CYP19A1CYP11B1CYP11B2
SCHEMBL11243302 0.89 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2IDO1QPCT
SCHEMBL11249904 0.88 MEN1 (0.45) ALDH1A1KDM4EQPCTCYP19A1CYP11B1
SCHEMBL11247563 0.88 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2IDO1QPCT
SCHEMBL11239088 0.87 CYP11B1 (0.49) ALDH1A1KDM4ESMN1; SMN2IDO1NPSR1
SCHEMBL11251627 0.86 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2IDO1QPCT
SCHEMBL11235305 0.86 CYP19A1 (0.42) QPCTCYP19A1CYP11B1CYP11B2MAPT
SCHEMBL11241135 0.85 HMOX1 (0.47)
SCHEMBL11232771 0.83 IDO1 (0.41) ALDH1A1KDM4ESMN1; SMN2IDO1CYP19A1
SCHEMBL11228678 0.81 MEN1 (0.46) ALDH1A1KDM4EQPCTCYP19A1CYP11B1

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