SCHEMBL10925029

SCHEMBL10925029

CC(=O)Nc1ccc(OC(CCc2cc(C)cs2)Cn2ccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.52
▸ TBXAS1 P24557 6/20 0.48
▸ CYP19A1 P11511 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10925408 0.85 RAB9A (0.53) RAB9ATBXAS1CYP19A1ALDH1A1GAA
SCHEMBL10926709 0.85 RAB9A (0.53) RAB9ATBXAS1CYP19A1ALDH1A1GAA
SCHEMBL10922968 0.85 CYP19A1 (0.40) TBXAS1CYP19A1ALDH1A1GAALMNA
SCHEMBL10930109 0.84 RAB9A (0.56) RAB9ATBXAS1CYP19A1
SCHEMBL10927847 0.83 RAB9A (0.52) RAB9ATBXAS1CYP19A1ALDH1A1GAA
SCHEMBL10927616 0.83 RAB9A (0.52) RAB9ATBXAS1CYP19A1ALDH1A1GAA
SCHEMBL10928215 0.82 RAB9A (0.54) RAB9ATBXAS1CYP19A1ALDH1A1GAA
SCHEMBL10931434 0.82 RAB9A (0.58) RAB9ATBXAS1CYP19A1ALDH1A1GAA
SCHEMBL10928015 0.81 RAB9A (0.57) RAB9ATBXAS1CYP19A1ALDH1A1GAA
SCHEMBL10932020 0.80 RAB9A (0.53) RAB9ATBXAS1CYP19A1ALDH1A1GAA

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
US-4518607-A FUNGICIDES, BACXTERICIDES AND ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1985-05-21 — — US disclosed
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