SCHEMBL9511795

SCHEMBL9511795

CCOC(=O)Cc1c(Cl)n[nH]c1S(=O)(=O)NC(=O)Nc1nc(C)cc(OC)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CDK1 P06493 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9512705 0.95 GAA (0.48) GAATSHRALDH1A1SMN1; SMN2CDK1
SCHEMBL9513100 0.88 GAA (0.52) GAATSHRALDH1A1SMN1; SMN2CDK1
SCHEMBL9509357 0.77 GAA (0.42) GAATSHRALDH1A1LMNASMN1; SMN2
SCHEMBL6455000 0.77 GAA (0.47) GAATSHRALDH1A1LMNASMN1; SMN2
SCHEMBL5792011 0.75 GAA (0.52) GAATSHRALDH1A1CDK1KDM4E
SCHEMBL6455018 0.74 GAA (0.49) GAAALDH1A1LMNACDK1KDM4E
SCHEMBL8352131 0.73 GAA (0.43) GAATSHRALDH1A1LMNASMN1; SMN2
SCHEMBL9511781 0.72 ALDH1A1 (0.42) TSHRALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL10847825 0.71 GAA (0.53) GAATSHRALDH1A1LMNASMN1; SMN2
SCHEMBL9441836 0.71 GAA (0.43) GAATSHRALDH1A1LMNASMN1; 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
EP-0565593-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1993-10-20 EP disclosed
EP-0562015-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1993-09-29 EP disclosed