SCHEMBL8628755

SCHEMBL8628755

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
KDM1A O60341 2/20 0.43
CDC7 O00311 2/20 0.42
MALT1 Q9UDY8 4/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
ATM Q13315 1/20 0.41
PLEC Q15149 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40

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
SCHEMBL8631666 0.91 EDNRB (0.42) EDNRBEDNRAKDM1AMALT1MEN1
SCHEMBL8634658 0.90 PTGS2 (0.46) EDNRACDC7MALT1MEN1LMNA
SCHEMBL8629794 0.89 SMN1; SMN2 (0.46) EDNRBEDNRAKDM1AMEN1KMT2A
SCHEMBL8630518 0.86 AR (0.43) EDNRBEDNRAKDM1ACDC7MEN1
SCHEMBL8628070 0.86 MEN1 (0.43) EDNRBEDNRAKDM1AMALT1MEN1
SCHEMBL8633218 0.86 EDNRB (0.42) EDNRBEDNRAKDM1AMALT1MEN1
SCHEMBL8631200 0.84 PTGDR2 (0.48) KDM1ACDC7MALT1MEN1LMNA
SCHEMBL8631830 0.83 CDC7 (0.44) EDNRBEDNRAKDM1ACDC7MALT1
SCHEMBL8631602 0.82 CDC25A (0.43) EDNRBEDNRAKDM1ACDC7MEN1
SCHEMBL8629982 0.82 EDNRB (0.43) EDNRBEDNRAKDM1ACDC7MEN1

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