SCHEMBL8629982

SCHEMBL8629982

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.43
EDNRA P25101 2/20 0.43
KDM1A O60341 4/20 0.42
CDC7 O00311 2/20 0.42
PTGS2 P35354 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
ATM Q13315 1/20 0.40
PLEC Q15149 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCR2 P41597 1/20 0.39

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) EDNRBEDNRACDC7PTGS2MAPT
SCHEMBL8631859 0.92 KDM1A (0.41) EDNRBEDNRAKDM1ACDC7MAPT
SCHEMBL8635531 0.92 PTGS2 (0.50) EDNRBEDNRACDC7PTGS2MAPT
SCHEMBL8629928 0.91 PTGS2 (0.43) CDC7PTGS2MAPTMEN1LMNA
SCHEMBL8630539 0.89 PTGS2 (0.46) EDNRBEDNRAKDM1APTGS2MAPT
SCHEMBL8631438 0.88 CYP1A2 (0.46) PTGS2MAPTKMT2AALDH1A1POLB
SCHEMBL8629382 0.88 ALDH1A1 (0.41) EDNRBEDNRACDC7PTGS2MEN1
SCHEMBL8629761 0.87 PTGS2 (0.48) EDNRBEDNRAKDM1APTGS2MAPT
SCHEMBL8631576 0.87 MAPT (0.41) EDNRBEDNRAKDM1APTGS2MAPT
SCHEMBL8630567 0.87 EDNRB (0.41) EDNRBEDNRAKDM1APTGS2MAPT

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