SCHEMBL7871330

SCHEMBL7871330

COC(=O)c1ccc(NN=CC(=O)OCCC#N)cc1S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.40
CA1 P00915 4/20 0.40
CA9 Q16790 4/20 0.40
CA5A P35218 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 3/20 0.33
KMT2A Q03164 2/20 0.32
CDK1 P06493 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CA12 O43570 3/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
YAP1 P46937 1/20 0.30

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
SCHEMBL7871331 0.84 CA2 (0.40) CA2CA1CA9CA5ASMN1; SMN2
SCHEMBL8536174 0.80 CA2 (0.51) CA2CA1CA9CA5ASMN1; SMN2
SCHEMBL8536178 0.80 CA2 (0.51) CA2CA1CA9CA5ASMN1; SMN2
SCHEMBL7877620 0.80 CDK1 (0.53) GAAKMT2ACDK1KDM4EMEN1
SCHEMBL9196481 0.74 CA2 (0.47) CA2CA1CA9CA5ASMN1; SMN2
SCHEMBL9196479 0.74 CA2 (0.47) CA2CA1CA9CA5ASMN1; SMN2
SCHEMBL7871328 0.73 HPGD (0.53) CA2CA1CA9CA5ASMN1; SMN2
SCHEMBL7871329 0.73 HPGD (0.53) CA2CA1CA9CA5ASMN1; SMN2
SCHEMBL8539913 0.72 CA2 (0.55) CA2CA1CA9CA5ASMN1; SMN2
SCHEMBL7711055 0.70 CA2 (0.56) CA2CA1CA9CA5AGAA

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-6331506-B1 Disubstituted methylidene hydrazinophenyl sulfonylureas, process for their production and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 2001-12-18 US disclosed