SCHEMBL9730399

SCHEMBL9730399

COC(=O)c1ccccc1S(=O)(=O)N(C(=N)NN)c1nc(OC)cc(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN5 P54829 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL9743094 0.85 CA1 (0.47) CA1CA2CA5ACA9KMT2A
SCHEMBL9730157 0.82 ALDH1A1 (0.38) CA1CA2CA5ACA9KMT2A
SCHEMBL9729959 0.81 SMN1; SMN2 (0.36) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL9368406 0.80 CA1 (0.44) CA1CA2CA5ACA9KMT2A
SCHEMBL9452140 0.77 CA1 (0.40) CA1CA2CA5ACA9KMT2A
SCHEMBL9586448 0.76 CA1 (0.40) CA1CA2CA5ACA9KMT2A
SCHEMBL8089115 0.76 CA1 (0.44) CA1CA2CA5ACA9KMT2A
SCHEMBL6054812 0.74 CA1 (0.50) CA1CA2CA5ACA9KMT2A
SCHEMBL10504916 0.73 KMT2A (0.51) CA1CA2CA5ACA9KMT2A
SCHEMBL10522254 0.73 KMT2A (0.38) CA1CA2CA5ACA9KMT2A

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-5125960-A Pre- and postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed