SCHEMBL29248951

SCHEMBL29248951

Cc1c(-c2cccnc2)cnc(C#N)c1OCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.57
CYP11B2 P19099 13/20 0.57
CYP19A1 P11511 5/20 0.57
ELOVL1 Q9BW60 1/20 0.40
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL30546846 1.00 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1ELOVL1KDM4E
SCHEMBL29248958 0.89 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1
SCHEMBL30453166 0.89 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1KDM4ECYP1A2
SCHEMBL24257578 0.89 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1KDM4ECYP1A2
SCHEMBL30546832 0.89 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1
SCHEMBL30546875 0.88 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1KDM4EHSD17B10
SCHEMBL30546856 0.81 PDE10A (0.38) CYP11B1CYP11B2CYP19A1
SCHEMBL30546817 0.81 CYP11B1 (0.52) CYP11B1CYP11B2CYP19A1ELOVL1CYP1A2
SCHEMBL29248901 0.81 CYP11B1 (0.52) CYP11B1CYP11B2CYP19A1ELOVL1CYP1A2
SCHEMBL24257687 0.77 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1KDM4ECYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116670131-A PHD inhibitor compounds, compositions, and methods of use 阿克比治疗有限公司 2023-08-29 CN disclosed