SCHEMBL9077271

SCHEMBL9077271

CN(C)S(=O)(=O)n1c(C#N)nc2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
FABP4 P15090 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
S1PR1 P21453 1/20 0.35
PSMB8 P28062 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.34
MAPK1 P28482 1/20 0.34
ACLY P53396 1/20 0.34
ALDH3A1 P30838 1/20 0.33
AGPAT2 O15120 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
SRPK2 P78362 1/20 0.33
SRPK1 Q96SB4 1/20 0.33
LMNA P02545 1/20 0.33
FBP1 P09467 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
SCHEMBL9074842 0.90 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EGAAALDH1A1MCOLN3
SCHEMBL9077201 0.84 KDM4E (0.40) SMN1; SMN2KDM4EGAAALDH1A1PSMB8
SCHEMBL3489703 0.82 SMN1; SMN2 (0.50) SMN1; SMN2FABP4KDM4EGAAALDH1A1
SCHEMBL10961029 0.81 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EGAAALDH1A1S1PR1
SCHEMBL9506024 0.81 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EGAAALDH1A1PSMB8
SCHEMBL10828297 0.78 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EGAAALDH1A1KMT2A
SCHEMBL10829260 0.78 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EGAAALDH1A1HPGD
SCHEMBL9390531 0.78 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EGAA
SCHEMBL9389551 0.78 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EGAAALDH1A1LMNA
SCHEMBL10831748 0.78 KDM4E (0.35) SMN1; SMN2KDM4EGAAPSMB8KMT2A

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-5571830-A FUNGICIDES, INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed
US-5510364-A FUNGICIDES, INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
EP-0545204-A1 2-cyanobenzimidazoles, process for their preparation and their use in agriculture and new precursors BAYER AG (DE) 1993-06-09 EP disclosed
US-4536502-A PESTICIDES, MITICIDES RHONE-POULENC AGROCHIMIE (FR) 1985-08-20 US disclosed