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Sugi Predict / Compounds / SCHEMBL12333391

SCHEMBL12333391

SCHEMBL12333391

O=S(=O)(c1ccccc1)c1cc2cc(C3=CCC(c4ccc(-c5cc6cc(S(=O)(=O)c7ccccc7)ncc6s5)s4)S3)sc2cn1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ PIK3CA P42336 4/20 0.32
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ AKT1 P31749 2/20 0.32
▸ AGTR1 P30556 1/20 0.31

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
SCHEMBL12333286 0.82 AGTR1 (0.40) CYP11B1CYP11B2PIK3CAPIK3C3AKT1
SCHEMBL14354273 0.82 AGTR1 (0.40) CYP11B1CYP11B2PIK3CAPIK3C3AKT1
SCHEMBL14467201 0.76 PIK3CA (0.37) CYP11B1CYP11B2PIK3CAPIK3C3AKT1
SCHEMBL14467197 0.76 PIK3CA (0.37) CYP11B1CYP11B2PIK3CAPIK3C3AKT1
SCHEMBL12333120 0.69 HTT (0.40) CYP11B1CYP11B2PIK3CAPIK3C3AKT1
SCHEMBL12333390 0.64 PIK3CD (0.44) CYP11B1CYP11B2PIK3CAAKT1AGTR1
SCHEMBL19526419 0.64 CHRM2 (0.36) —
SCHEMBL29277557 0.63 AGTR1 (0.49) CYP11B1CYP11B2PIK3CAAKT1AGTR1
SCHEMBL29277555 0.57 HTT (0.49) CYP11B1CYP11B2AGTR1
SCHEMBL29277552 0.57 CYP11B1 (0.47) CYP11B1CYP11B2AGTR1

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
WO-2011115071-A1 THIENOPYRIDINE DERIVATIVE, METHOD FOR PRODUCING SAME AND ORGANIC SEMICONDUCTOR DEVICE USING SAME 国立大学法人広島大学 (JP) 2011-09-22 — — WO disclosed