SCHEMBL31250398

SCHEMBL31250398

COC(=O)c1ccc2cnc(C)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ CYP19A1 P11511 1/20 0.49
▸ CYP11B1 P15538 1/20 0.49
▸ CYP11B2 P19099 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ KDM4E B2RXH2 5/20 0.48
▸ HPGD P15428 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ PTPN11 Q06124 1/20 0.48
▸ MAPK1 P28482 2/20 0.47
▸ PSMD14 O00487 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ XDH P47989 1/20 0.46
▸ CA9 Q16790 1/20 0.46

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
SCHEMBL16880778 1.00 ALOX15 (0.51) ALOX15HTTCYP19A1CYP11B1CYP11B2
SCHEMBL17631647 0.83 ALOX15 (0.50) ALOX15HTTCYP19A1CYP11B1CYP11B2
SCHEMBL30523282 0.83 ALOX15 (0.50) ALOX15HTTCYP19A1CYP11B1CYP11B2
SCHEMBL1594540 0.83 HTT (0.50) ALOX15HTTCYP19A1CYP11B1CYP11B2
SCHEMBL15553325 0.83 ALOX15 (0.50) ALOX15HTTCYP19A1CYP11B1CYP11B2
SCHEMBL1601229 0.81 CYP2A6 (0.50) KDM4EHPGDPSMD14CYP1A2CYP2A6
SCHEMBL2671631 0.81 ALOX15 (0.49) ALOX15HTTCYP19A1CYP11B1CYP11B2
SCHEMBL19296076 0.81 PLAU (0.51) PSMD14CYP1A2CYP2A6
SCHEMBL709231 0.80 LCK (0.62) ALOX15HTTCYP19A1CYP11B1CYP11B2
SCHEMBL15512057 0.80 ROCK1 (0.47) ALOX15HTTCYP19A1CYP11B1CYP11B2

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
CN-119301127-A 6-Oxo-decahydro pyrrolo [1,2-a ] [1,5] diazocine and 6-oxo-decahydro-4H-pyrrolo [2,1-d ] [1,5] thiaazacine derivatives as modulators of STAT3 and STAT6 for the treatment of cancer and inflammatory conditions 瑞克鲁迪克斯制药股份有限公司 2025-01-10 — — CN disclosed
CN-118804917-A STAT modulators and uses thereof 瑞克鲁迪克斯制药股份有限公司 2024-10-18 — — CN disclosed
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