SCHEMBL11239243

SCHEMBL11239243

Cc1cccc(CC2(CCn3ccnc3)OCC(C)(C)CO2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.52
CYP11B2 P19099 5/20 0.52
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 1/20 0.38
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP19A1 P11511 2/20 0.37
KCNH2 Q12809 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL11242726 0.90 CYP11B1 (0.55) CYP11B1CYP11B2KMT2ACYP1A2CYP3A4
SCHEMBL11248612 0.89 CYP11B1 (0.50) CYP11B1CYP11B2KMT2ACYP1A2CYP3A4
SCHEMBL11242420 0.89 CYP11B1 (0.54) CYP11B1CYP11B2KMT2ACYP1A2CYP3A4
SCHEMBL11243207 0.89 CYP11B1 (0.48) CYP11B1CYP11B2KMT2APOLBCTDSP1
SCHEMBL11239088 0.89 CYP11B1 (0.49) CYP11B1CYP11B2KMT2ACYP1A2CYP3A4
SCHEMBL11250794 0.88 CYP11B1 (0.53) CYP11B1CYP11B2KMT2ACYP1A2CYP3A4
SCHEMBL11234049 0.88 CYP19A1 (0.44) CYP11B1CYP11B2KMT2ACYP1A2CYP3A4
SCHEMBL11239107 0.86 CYP19A1 (0.48) CYP11B1CYP11B2KMT2ACYP19A1
SCHEMBL11243302 0.86 ALDH1A1 (0.41) CYP11B1CYP11B2KMT2ASMN1; SMN2IDO1
SCHEMBL11242164 0.83 POLB (0.42) CYP11B1CYP11B2KMT2ACYP1A2CYP3A4

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