SCHEMBL8629075

SCHEMBL8629075

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
NPY5R Q15761 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 3/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
RECQL P46063 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
SCHEMBL8632171 0.90 SMN1; SMN2 (0.49) MAPTNPY5RMEN1KMT2AKDM4E
SCHEMBL8629951 0.89 MAPT (0.43) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8630036 0.89 SMN1; SMN2 (0.44) MAPTNPY5RMEN1KMT2AKDM4E
SCHEMBL8635042 0.88 PDE9A (0.43) MAPTNPY5RMEN1KMT2AKDM4E
SCHEMBL8627617 0.87 SMN1; SMN2 (0.42) MAPTNPY5RMEN1KMT2AKDM4E
SCHEMBL8634744 0.87 GAA (0.44) MAPTNPY5RMEN1KMT2AKDM4E
SCHEMBL8631693 0.85 MAPT (0.40) MAPTNPY5RMEN1KMT2AKDM4E
SCHEMBL8632202 0.85 MAPT (0.39) MAPTNPY5RMEN1KMT2AKDM4E
SCHEMBL8633819 0.85 KDM4E (0.41) MAPTNPY5RMEN1KMT2AKDM4E
SCHEMBL8629945 0.82 ACLY (0.43)

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