SCHEMBL10925829

SCHEMBL10925829

CC(C)(C)c1ccc(CCC(Cn2ccnc2)OS(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
TBXAS1 P24557 2/20 0.42
GRIA4 P48058 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL10928228 0.90 HMOX1 (0.48) TBXAS1
SCHEMBL10931825 0.87 CYP19A1 (0.48) IDO1TBXAS1ALDH1A1CYP19A1
SCHEMBL10926736 0.87 TBXAS1 (0.43) MEN1KMT2ATBXAS1ALDH1A1LMNA
SCHEMBL10926103 0.86 HMOX1 (0.48) TBXAS1CYP19A1
SCHEMBL10927731 0.86 CYP1A2 (0.51) IDO1MEN1KMT2ATBXAS1ALDH1A1
SCHEMBL10925319 0.86 CYP19A1 (0.49) IDO1TBXAS1CYP19A1
SCHEMBL10928601 0.86 TBXAS1 (0.44) POLBTBXAS1CYP19A1
Hydrochloric Acid SCHEMBL10925059 0.85 ALDH1A1 (0.50) ALDH1A1LMNACYP19A1
SCHEMBL10924998 0.84 TBXAS1 (0.51) MEN1KMT2ATBXAS1ALDH1A1LMNA
SCHEMBL10926417 0.83 CYP19A1 (0.50) TBXAS1CYP19A1

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