SCHEMBL8634744

SCHEMBL8634744

Cc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(CCc3ccccc3)c2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.38
NRP1 O14786 1/20 0.38
RECQL P46063 1/20 0.38
PDE9A O76083 1/20 0.38
PDE1C Q14123 1/20 0.38
TSHR P16473 1/20 0.38
NPY5R Q15761 1/20 0.38
PTGS2 P35354 1/20 0.38
NMT1 P30419 1/20 0.37

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
SCHEMBL8628554 0.90 PRMT1 (0.41) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL8635042 0.90 PDE9A (0.43) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL8632171 0.88 SMN1; SMN2 (0.49) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8629075 0.87 MAPT (0.42) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL8631588 0.86 GAA (0.47) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL8627617 0.84 SMN1; SMN2 (0.42) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL8634716 0.83 PI4KB (0.42) MAPTPTGS2
SCHEMBL8633612 0.83 GAA (0.45) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL8631784 0.82 GAA (0.44) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL8631602 0.81 CDC25A (0.43) GAAMAPTALDH1A1KDM4EMEN1

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