SCHEMBL8628774

SCHEMBL8628774

O=S(=O)(Nc1nn(CCc2ccccn2)c(C(F)(F)F)c1-c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.49
HTT P42858 2/20 0.42
PTGS1 P23219 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
ATM Q13315 1/20 0.35
SLC40A1 Q9NP59 2/20 0.35

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
SCHEMBL8632283 0.88 PTGS2 (0.63) PTGS2PTGS1MAPTSMN1; SMN2
SCHEMBL8627989 0.83 PTGS2 (0.48) PTGS2PTGS1MAPTKDM4ESMN1; SMN2
SCHEMBL8629118 0.82 PTGS2 (0.57) PTGS2PTGS1MAPTKDM4ESMN1; SMN2
SCHEMBL8629560 0.82 PTGS2 (0.49) PTGS2PTGS1MAPTKDM4E
SCHEMBL8635531 0.81 PTGS2 (0.50) PTGS2PTGS1MAPTKDM4EEDNRB
SCHEMBL8631162 0.81 PTGS2 (0.46) PTGS2HTTPTGS1MAPTKDM4E
SCHEMBL8628674 0.80 PTGS2 (0.44) PTGS2HTTPTGS1MAPTKDM4E
SCHEMBL8630859 0.80 PTGS2 (0.44) PTGS2HTTPTGS1MAPTKDM4E
SCHEMBL8631550 0.80 PTGS2 (0.58) PTGS2HTTPTGS1MAPTKDM4E
SCHEMBL8631516 0.79 PTGS2 (0.46) PTGS2HTTPTGS1MAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5580985-A ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION G. D. SEARLE & CO. (US) 1996-12-03 US claimed
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed