SCHEMBL9620568

SCHEMBL9620568

COc1nc(NC(=O)NS(=O)(=O)c2cccc(Cl)c2C(=O)OC(C)C)nc(OC)n1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ITGB1 P05556 3/20 0.43
ITGA4 P13612 3/20 0.43
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
CCR4 P51679 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL10508148 0.83 NPC1 (0.45) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL11636558 0.83 ALDH1A1 (0.66) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL11042144 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1ITGB1ITGA4
SCHEMBL11155233 0.79 ALDH1A1 (0.61) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL9620638 0.78 KDM4E (0.48) ALDH1A1KDM4ENPC1SMN1; SMN2GAA
SCHEMBL4811798 0.78 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL10506658 0.78 NPC1 (0.42) ALDH1A1KDM4ENPC1MAPTGAA
Chlorsulfuron SCHEMBL54874 0.77 ALDH1A1 (0.61) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
Chlorsulfuron SCHEMBL7902297 0.77 ALDH1A1 (0.61) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL10642027 0.77 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104441-A HERBICIDAL SULFONAMIDES AND THEIR USE TO INFLUENCE PLANT GROWTH BASF AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed