SCHEMBL11069586

SCHEMBL11069586

C=CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)c(F)c(OC)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.41
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CDK1 P06493 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL11069468 0.87 GAA (0.47) MAPTGAAALDH1A1NPC1KDM4E
SCHEMBL10506561 0.87 GAA (0.50) CYP3A4MAPTGAAALDH1A1TSHR
SCHEMBL10833802 0.84 CYP3A4 (0.46) CYP3A4MAPTALDH1A1TSHRHSD17B10
SCHEMBL10506227 0.84 CYP3A4 (0.42) CYP3A4MAPTGAAALDH1A1TSHR
SCHEMBL10664581 0.83 TSHR (0.45) CYP3A4MAPTGAAALDH1A1TSHR
SCHEMBL11074688 0.83 MAPT (0.47) MAPTGAAALDH1A1NPC1KDM4E
SCHEMBL10665567 0.79 CYP3A4 (0.43) CYP3A4MAPTALDH1A1TSHRHSD17B10
SCHEMBL11076721 0.78 KDM4E (0.57) MAPTGAAALDH1A1NPC1KDM4E
SCHEMBL8828541 0.75 NPC1 (0.46) MAPTGAAALDH1A1NPC1KDM4E
SCHEMBL11184973 0.75 ALDH1A1 (0.52) MAPTALDH1A1TSHRNPC1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0023140-B1 HERBICIDAL SULFONAMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-31 EP claimed
EP-0023140-A2 Herbicidal sulfonamides, preparation and use thereof, and compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-01-28 EP claimed
EP-0023140-B1 HERBICIDAL SULFONAMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-31 EP disclosed
US-4342587-A Herbicidal pyridinsulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-08-03 US disclosed
EP-0023140-A2 Herbicidal sulfonamides, preparation and use thereof, and compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-01-28 EP disclosed