SCHEMBL8632227

SCHEMBL8632227

Cc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(CCc3ccccc3)c2COCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
AR P10275 2/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NMT1 P30419 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.37
NPY5R Q15761 1/20 0.37
PTGS2 P35354 1/20 0.36
CYP19A1 P11511 2/20 0.36
LMNA P02545 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
SCHEMBL8631648 0.90 AR (0.41) GAAARMAPTALDH1A1MEN1
SCHEMBL8631394 0.90 AR (0.43) GAAARMAPTALDH1A1KDM4E
SCHEMBL8630543 0.90 SMN1; SMN2 (0.46) ARMAPTALDH1A1KDM4EMEN1
SCHEMBL8633612 0.87 GAA (0.45) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL8633054 0.87 SMN1; SMN2 (0.41) GAAARMAPTALDH1A1KDM4E
SCHEMBL8635630 0.87 AR (0.40) GAAARMAPTALDH1A1KDM4E
SCHEMBL8631588 0.85 GAA (0.47) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL8631464 0.84 PI4KB (0.40) MAPTPTGS2
SCHEMBL8635051 0.82 SMN1; SMN2 (0.42) ARMAPTALDH1A1MEN1KMT2A
SCHEMBL8630518 0.81 AR (0.43) ARMAPTALDH1A1KDM4EMEN1

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