SCHEMBL8635531

SCHEMBL8635531

O=S(=O)(Nc1nn(Cc2ccccc2)c(C(F)(F)F)c1-c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.50
PTGS1 P23219 1/20 0.43
CDC7 O00311 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AR P10275 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL8630170 0.93 CDC7 (0.43) PTGS2CDC7KDM4ERXFP1MAPT
SCHEMBL8629982 0.92 EDNRB (0.43) PTGS2CDC7KDM4EMAPTPTGDR2
SCHEMBL8629928 0.91 PTGS2 (0.43) PTGS2CDC7KDM4EMAPTPTGDR2
SCHEMBL8632283 0.90 PTGS2 (0.63) PTGS2PTGS1MAPTMEN1POLB
SCHEMBL8629118 0.88 PTGS2 (0.57) PTGS2PTGS1KDM4ERXFP1MAPT
SCHEMBL8631438 0.88 CYP1A2 (0.46) PTGS2MAPTPTGDR2POLBKMT2A
SCHEMBL8629382 0.88 ALDH1A1 (0.41) PTGS2CDC7PTGDR2MEN1POLB
SCHEMBL8630525 0.86 CCR4 (0.41) PTGS2CDC7KDM4EMAPTPTGDR2
SCHEMBL8630859 0.85 PTGS2 (0.44) PTGS2PTGS1KDM4ERXFP1MAPT
SCHEMBL8631550 0.85 PTGS2 (0.58) PTGS2PTGS1KDM4ERXFP1MAPT

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