SCHEMBL10778570

SCHEMBL10778570

COc1nc(NS(=O)(=O)c2cccc3c2CSC3)nc(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
SLC40A1 Q9NP59 1/20 0.36
CCR4 P51679 3/20 0.35
HSD11B1 P28845 1/20 0.34
HSD17B2 P37059 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL10782125 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL9759975 0.72 EDNRA (0.47) CA1CA2CA9HTTALDH1A1
SCHEMBL9759332 0.72 LMNA (0.55) HTTALDH1A1SLC40A1CCR4MEN1
SCHEMBL10778469 0.72 GAA (0.53) ALDH1A1KMT2ATP53
SCHEMBL10782214 0.72 NSD2 (0.45) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL11083025 0.67 NLRP3 (0.45) ALDH1A1POLB
SCHEMBL11080289 0.67 MAPT (0.46) ALDH1A1POLB
SCHEMBL2888933 0.66 TTR (0.38) TSHRSMN1; SMN2
SCHEMBL10778551 0.66 CA2 (0.40) CA1CA2CA9MAPK1
SCHEMBL10778196 0.66 ALDH1A1 (0.42) ALDH1A1POLBSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4687508-A Herbicidal benzenesulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-08-18 US disclosed
US-4578108-A Herbicidal benzenesulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-03-25 US disclosed
US-4521241-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-06-04 US disclosed