SCHEMBL8628758

SCHEMBL8628758

NS(=O)(=O)c1ccccc1-c1nn(Cc2ccccc2)c(CO)c1-c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
MARS1 P56192 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
F10 P00742 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MALT1 Q9UDY8 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
SCHEMBL8631669 0.91 PTGES2 (0.38) PTGS1PTGS2ALDH1A1CYP3A4CYP2C9
SCHEMBL8634661 0.91 PTGS2 (0.45) PTGS1PTGS2MEN1KMT2AALDH1A1
SCHEMBL8629795 0.88 PTGS2 (0.40) PTGS1PTGS2F10PTGDR2NR1H3
SCHEMBL8630521 0.87 PTGS1 (0.45) HTR7HTR1AHTR2APTGS1PTGS2
SCHEMBL8631203 0.86 PTGDR2 (0.46) HTR7HTR1AHTR2APTGS1PTGS2
SCHEMBL8633221 0.86 PTGS2 (0.38) PTGS1PTGS2CYP3A4CYP2C9CYP2C19
SCHEMBL7777321 0.85 PTGS2 (0.47) HTR7HTR1AHTR2APTGS1PTGS2
SCHEMBL8631606 0.82 HTR7 (0.39) HTR7HTR1AHTR2APTGS1PTGS2
SCHEMBL8631831 0.82 HTR7 (0.39) HTR7HTR1AHTR2APTGS1PTGS2
SCHEMBL8629984 0.82 PTGS2 (0.44) HTR7HTR1AHTR2APTGS1PTGS2

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