SCHEMBL8628070

SCHEMBL8628070

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EDNRB P24530 2/20 0.42
EDNRA P25101 2/20 0.42
KDM1A O60341 2/20 0.41
PTGES O14684 2/20 0.38
NAT1 P18440 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX5 P09917 1/20 0.37
TSHR P16473 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 2/20 0.36
ERBB2 P04626 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 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
SCHEMBL8634444 0.90 SMN1; SMN2 (0.42) MEN1KMT2AEDNRAMAPTPOLB
SCHEMBL8628755 0.86 EDNRB (0.44) MEN1KMT2AEDNRBEDNRAKDM1A
SCHEMBL8629794 0.86 SMN1; SMN2 (0.46) MEN1KMT2AEDNRBEDNRAKDM1A
SCHEMBL8632683 0.85 MEN1 (0.40) MEN1KMT2AEDNRBEDNRAKDM1A
SCHEMBL8630029 0.85 MEN1 (0.45) MEN1KMT2AEDNRBEDNRAKDM1A
SCHEMBL8632801 0.84 MEN1 (0.43) MEN1KMT2AEDNRBEDNRAKDM1A
SCHEMBL8631666 0.84 EDNRB (0.42) MEN1KMT2AEDNRBEDNRAKDM1A
SCHEMBL8633218 0.84 EDNRB (0.42) MEN1KMT2AEDNRBEDNRAKDM1A
SCHEMBL8629761 0.83 PTGS2 (0.48) MEN1KMT2AEDNRBEDNRAKDM1A
SCHEMBL8633160 0.83 MEN1 (0.43) MEN1KMT2AEDNRBEDNRAKDM1A

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