SCHEMBL15054455

SCHEMBL15054455

COc1ccc(S(=O)(=O)Nc2cccc(N)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.80
▸ HTR6 P50406 3/20 0.72
▸ TCF4 P15884 1/20 0.65
▸ CTNNB1 P35222 1/20 0.65
▸ ALDH1A1 P00352 4/20 0.62
▸ LMNA P02545 4/20 0.62
▸ PKM P14618 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ PLAU P00749 1/20 0.60
▸ POLB P06746 1/20 0.59
▸ FFAR4 Q5NUL3 2/20 0.59
▸ THRB P10828 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ GAA P10253 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ PGR P06401 1/20 0.57

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
SCHEMBL28511978 0.88 HTR6 (0.63) CYP19A1HTR6TCF4CTNNB1ALDH1A1
SCHEMBL20323615 0.87 HTR6 (0.66) CYP19A1HTR6ALDH1A1LMNAPKM
SCHEMBL4072331 0.87 PGR (0.72) CYP19A1ALDH1A1LMNAPKMPLAU
SCHEMBL8711296 0.86 CYP19A1 (0.88) CYP19A1TCF4CTNNB1ALDH1A1LMNA
SCHEMBL2242644 0.85 HTR6 (0.72) CYP19A1HTR6TCF4CTNNB1ALDH1A1
SCHEMBL28271812 0.84 HTR6 (1.00) CYP19A1HTR6PKMPOLBHTT
SCHEMBL7386463 0.84 CYP19A1 (0.82) CYP19A1TCF4CTNNB1ALDH1A1LMNA
SCHEMBL9763115 0.83 HTR6 (0.79) CYP19A1HTR6TCF4CTNNB1ALDH1A1
SCHEMBL30737507 0.83 HTR6 (0.79) CYP19A1HTR6TCF4CTNNB1ALDH1A1
SCHEMBL22584911 0.83 LMNA (0.73) HTR6ALDH1A1LMNAPKMSMN1; SMN2

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-109081793-B Sulfonamide urease inhibitor and preparation method and application thereof 吉首大学 2021-03-30 — — CN disclosed
WO-2013096151-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 — — WO disclosed
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