SCHEMBL31411930

SCHEMBL31411930

CC(=O)NCCc1ncncc1-c1nc2cc(F)c(F)cc2n1C1CC1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 19/20 0.69
▸ CYP11B1 P15538 18/20 0.69
▸ CYP19A1 P11511 1/20 0.56
▸ CYP3A4 P08684 1/20 0.53

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
SCHEMBL20337726 1.00 CYP11B2 (0.69) CYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL20337720 0.83 CYP11B2 (0.78) CYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL20337651 0.82 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL31411963 0.82 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL31412066 0.80 CYP11B2 (0.56) CYP11B2CYP11B1CYP19A1
SCHEMBL20337693 0.80 CYP11B2 (0.56) CYP11B2CYP11B1CYP19A1
SCHEMBL31411949 0.78 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL20337629 0.78 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL20337677 0.76 CYP11B1 (1.00) CYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL31411996 0.76 CYP11B1 (1.00) CYP11B2CYP11B1CYP19A1CYP3A4

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
EP-3562306-B1 METALLOENZYME INHIBITOR COMPOUNDS JI XING PHARMACEUTICALS HONG KONG LTD (HK) 2025-02-26 — — EP claimed
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