SCHEMBL10929580

SCHEMBL10929580

Cc1ccc(CCC(Cn2ccnc2)Oc2ccc(N3CCN(C=O)CC3)cc2)o1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 12/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP21A2 P08686 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL10928337 0.89 TBXAS1 (0.36) TBXAS1SMN1; SMN2ALDH1A1GAACYP19A1
SCHEMBL10932093 0.87 CYP17A1 (0.45) TBXAS1SMN1; SMN2CYP17A1CYP21A2CYP11B1
SCHEMBL10927951 0.86 GFER (0.39) TBXAS1SMN1; SMN2ALDH1A1GAACYP19A1
SCHEMBL10925117 0.86 TBXAS1 (0.40) TBXAS1CYP11B1CYP19A1
SCHEMBL10928280 0.85 TBXAS1 (0.34) TBXAS1SMN1; SMN2CYP17A1CYP21A2CYP11B1
SCHEMBL10926101 0.84 TBXAS1 (0.37) TBXAS1CYP17A1CYP21A2CYP11B1
SCHEMBL10927652 0.84 HMOX1 (0.40) TBXAS1CYP19A1
SCHEMBL10924965 0.84 TBXAS1 (0.48) TBXAS1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL10928678 0.82 GFER (0.36) TBXAS1SMN1; SMN2CYP17A1CYP21A2CYP11B1
SCHEMBL10928082 0.82 ALDH1A1 (0.35) SMN1; SMN2CYP17A1CYP21A2CYP11B1ALDH1A1

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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