SCHEMBL8633218

SCHEMBL8633218

N#CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1CO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.42
EDNRA P25101 2/20 0.42
MAPT P10636 4/20 0.41
KDM1A O60341 2/20 0.41
POLB P06746 3/20 0.39
GAA P10253 2/20 0.39
NAT1 P18440 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PTGES O14684 2/20 0.37
ALOX5 P09917 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MALT1 Q9UDY8 3/20 0.36

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
SCHEMBL8631693 0.90 MAPT (0.40) EDNRAMAPTPOLBGAAALDH1A1
SCHEMBL8628755 0.86 EDNRB (0.44) EDNRBEDNRAMAPTKDM1APOLB
SCHEMBL8629794 0.86 SMN1; SMN2 (0.46) EDNRBEDNRAMAPTKDM1APOLB
SCHEMBL8632284 0.85 AR (0.40) EDNRBEDNRAMAPTKDM1APOLB
SCHEMBL8628706 0.85 MAPT (0.44) EDNRBEDNRAMAPTKDM1APOLB
SCHEMBL8629951 0.85 MAPT (0.43) EDNRBEDNRAMAPTKDM1APOLB
SCHEMBL8631666 0.84 EDNRB (0.42) EDNRBEDNRAMAPTKDM1AGAA
SCHEMBL8635404 0.84 MAPT (0.41) EDNRBEDNRAMAPTKDM1APOLB
SCHEMBL8628070 0.84 MEN1 (0.43) EDNRBEDNRAMAPTKDM1APOLB
SCHEMBL8631576 0.83 MAPT (0.41) EDNRBEDNRAMAPTKDM1APOLB

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