SCHEMBL8632283

SCHEMBL8632283

O=S(=O)(Nc1nn(CCc2ccccc2)c(C(F)(F)F)c1-c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.63
RET P07949 2/20 0.42
KDR P35968 2/20 0.42
PTGS1 P23219 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8635531 0.90 PTGS2 (0.50) PTGS2PTGS1TAAR1MAPTMEN1
SCHEMBL8628774 0.88 PTGS2 (0.49) PTGS2PTGS1MAPTSMN1; SMN2
SCHEMBL8627989 0.87 PTGS2 (0.48) PTGS2PTGS1MAPTMEN1POLB
SCHEMBL8629118 0.86 PTGS2 (0.57) PTGS2PTGS1MAPTMEN1KMT2A
SCHEMBL8629560 0.86 PTGS2 (0.49) PTGS2PTGS1TP53MAPTMEN1
SCHEMBL8631162 0.85 PTGS2 (0.46) PTGS2PTGS1MAPTMEN1POLB
SCHEMBL8631550 0.84 PTGS2 (0.58) PTGS2PTGS1MAPTMEN1POLB
SCHEMBL8628674 0.84 PTGS2 (0.44) PTGS2PTGS1MAPTMEN1POLB
SCHEMBL8630859 0.84 PTGS2 (0.44) PTGS2PTGS1MAPTMEN1POLB
SCHEMBL8630962 0.83 PTGS2 (0.44) PTGS2TP53MAPTTHRBMEN1

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