SCHEMBL8633819

SCHEMBL8633819

Cc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(CC#N)c2C(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPT P10636 7/20 0.40
GAA P10253 3/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPY5R Q15761 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
FPR1 P21462 2/20 0.37
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
HSD11B1 P28845 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL8635404 0.91 MAPT (0.41) KDM4EMAPTGAAPOLBMEN1
SCHEMBL8629838 0.88 SMN1; SMN2 (0.49) KDM4EMAPTGAAPOLBMEN1
SCHEMBL8630036 0.86 SMN1; SMN2 (0.44) KDM4EMAPTGAAPOLBMEN1
SCHEMBL8628874 0.86 PTGS2 (0.43) KDM4EMAPTGAAPOLBMEN1
SCHEMBL8629075 0.85 MAPT (0.42) KDM4EMAPTGAAPOLBMEN1
SCHEMBL8632202 0.84 MAPT (0.39) KDM4EMAPTGAAPOLBMEN1
SCHEMBL8631784 0.84 GAA (0.44) KDM4EMAPTGAAMEN1KMT2A
SCHEMBL8631597 0.84 SMN1; SMN2 (0.42) KDM4EMAPTGAAPOLBMEN1
SCHEMBL8630165 0.84 ACLY (0.39) ALDH1A1
SCHEMBL8631693 0.83 MAPT (0.40) KDM4EMAPTGAAPOLBMEN1

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed