SCHEMBL9763398

SCHEMBL9763398

COC(=O)c1ccccc1S(=O)(=O)NC(=NOCc1ccccc1)Nc1nc(C)cc(C)n1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN5 P54829 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38

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
SCHEMBL10568557 0.87 CA1 (0.43) ALDH1A1NPC1GAAKDM4EMEN1
SCHEMBL9834922 0.84 CA1 (0.47) ALDH1A1NPC1GAAKDM4EMEN1
SCHEMBL11131057 0.84 CA1 (0.44) ALDH1A1NPC1GAAKDM4EMEN1
SCHEMBL9834934 0.84 CA1 (0.47) ALDH1A1NPC1GAAKDM4EMEN1
SCHEMBL10501861 0.84 NPC1 (0.46) ALDH1A1NPC1GAAKDM4EMEN1
SCHEMBL10967088 0.83 RXFP1 (0.43) ALDH1A1NPC1GAAKDM4EMEN1
SCHEMBL9684536 0.82 NPC1 (0.42) ALDH1A1NPC1GAAKDM4EMEN1
SCHEMBL10569478 0.81 TSHR (0.46) NPC1GAAKDM4EMEN1KMT2A
Sulfometuron Methyl SCHEMBL27545620 0.79 GAA (0.50) NPC1GAAKDM4ELMNAMEN1
Sulfometuron Methyl SCHEMBL9137833 0.79 GAA (0.50) NPC1GAAKDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988379-A Pre- and postemergent BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4840661-A Sulphonyliso(thio)urea derivatives and herbicidal use thereof BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0173957-B1 SULFONYLISO(THIO) UREA DERIVATIVES BAYER AG (DE) 1989-01-18 EP disclosed
EP-0173957-A1 Sulfonyliso(thio) urea derivatives BAYER AG (DE) 1986-03-12 EP disclosed