SCHEMBL11247563

SCHEMBL11247563

COc1cccc(CC2(CCn3ccnc3)OCCO2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
IDO1 P14902 2/20 0.43
QPCT Q16769 1/20 0.43
CYP19A1 P11511 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HMOX1 P09601 1/20 0.42

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
SCHEMBL11251627 0.96 ALDH1A1 (0.42) ALDH1A1IDO1QPCTCYP19A1KDM4E
SCHEMBL11243302 0.91 ALDH1A1 (0.41) ALDH1A1IDO1QPCTCYP19A1KDM4E
SCHEMBL11250541 0.89 HMOX1 (0.48) IDO1CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11239765 0.88 ALDH1A1 (0.42) ALDH1A1IDO1QPCTCYP19A1KDM4E
SCHEMBL11246746 0.86 MEN1 (0.50) CYP19A1MAPTCYP11B1HMOX1
SCHEMBL11242952 0.86 HMOX1 (0.49) ALDH1A1IDO1QPCTKDM4ESMN1; SMN2
SCHEMBL11242726 0.85 CYP11B1 (0.55) IDO1CYP19A1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL11239983 0.85 HMOX1 (0.44) IDO1CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11243504 0.83 HMOX1 (0.60) HMOX1
SCHEMBL11249736 0.82 HMOX1 (0.49) QPCTCYP19A1MAPTCYP11B1CYP11B2

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