SCHEMBL8630396

SCHEMBL8630396

COc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(Cc3ccccc3)c2C)cc1F

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 5/20 0.44
CCR4 P51679 5/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
ABCB1 P08183 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL8635623 0.91 PI4KB (0.44) PI4KBPTGS1PTGS2MAPT
SCHEMBL8630468 0.90 SMN1; SMN2 (0.50) PI4KBPTGS1PTGS2MAPT
SCHEMBL8632910 0.88 CCR4 (0.42) PI4KBCCR4PDE4APDE4BPDE4C
SCHEMBL8630562 0.88 CCR4 (0.42) PI4KBCCR4PDE4APDE4BPDE4C
SCHEMBL8635131 0.88 PI4KB (0.43) PI4KBCCR4PDE4APDE4BPDE4C
SCHEMBL8634518 0.87 PI4KB (0.42) PI4KBCCR4PDE4APDE4BPDE4C
SCHEMBL8635028 0.87 PI4KB (0.40) PI4KBPTGS1PTGS2MAPT
SCHEMBL8629938 0.87 ACLY (0.41) PI4KBPTGS1PTGS2
SCHEMBL8632160 0.87 CCR4 (0.41) PI4KBCCR4PDE4APDE4BPDE4C
SCHEMBL8630479 0.87 CCR4 (0.41) PI4KBCCR4PDE4APDE4BPDE4C

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