SCHEMBL8635623

SCHEMBL8635623

COc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(CCc3ccccc3)c2C)cc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 7/20 0.44
MAPT P10636 1/20 0.41
HTR6 P50406 1/20 0.40
KDR P35968 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NMT1 P30419 1/20 0.39
ACLY P53396 2/20 0.38
MEN1 O00255 1/20 0.38
KDM1A O60341 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 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
SCHEMBL8630396 0.91 PI4KB (0.44) PI4KBMAPTPTGS1PTGS2
SCHEMBL8630468 0.89 SMN1; SMN2 (0.50) PI4KBMAPTHTR6PTGS1PTGS2
SCHEMBL8632918 0.89 PI4KB (0.41) PI4KBMAPTHTR6KDRPTGS1
SCHEMBL8632809 0.89 PI4KB (0.42) PI4KBMAPTHTR6KDRPTGS1
SCHEMBL8634716 0.88 PI4KB (0.42) PI4KBMAPTHTR6KDRPTGS1
SCHEMBL8631464 0.87 PI4KB (0.40) PI4KBMAPTHTR6KDRPTGS1
SCHEMBL8631050 0.87 PTGS2 (0.42) PI4KBMAPTHTR6KDRPTGS1
SCHEMBL8629938 0.85 ACLY (0.41) PI4KBHTR6PTGS1PTGS2ACLY
SCHEMBL8635028 0.85 PI4KB (0.40) PI4KBMAPTHTR6PTGS1PTGS2
SCHEMBL8631588 0.82 GAA (0.47) MAPTPTGS2ALDH1A1NMT1MEN1

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