SCHEMBL9683913

SCHEMBL9683913

COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)Oc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.43
PTPN12 Q05209 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL28820348 0.83 ALOX5 (0.40) MAPTSMN1; SMN2
SCHEMBL22955378 0.83 MAPT (0.42) MAPTSMN1; SMN2HPGDNPC1
SCHEMBL9683669 0.82 CYP1A2 (0.56) ALDH1A1SMN1; SMN2GAA
SCHEMBL9683663 0.81 MAPT (0.42) PTPN7PTPN12PTPN22MAPTALDH1A1
SCHEMBL28054847 0.81 KMT2A (0.33)
SCHEMBL28820331 0.79 CA12 (0.48) MAPTALDH1A1HPGD
SCHEMBL22954806 0.79 NPC1 (0.46) MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL29638146 0.79 NPC1 (0.46) MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL12204321 0.78 PTPN7 (0.60) PTPN7PTPN12PTPN22MAPTALDH1A1
Pyrithiobac SCHEMBL29474421 0.77 NPSR1 (0.39)

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-5149357-A Herbicidal substituted benzoylsulfonamides FMC CORPORATION (US) 1992-09-22 US disclosed