SCHEMBL8629951

SCHEMBL8629951

N#CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KDM1A O60341 3/20 0.42
POLB P06746 3/20 0.40
GAA P10253 2/20 0.40
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
NAT1 P18440 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
MAOA P21397 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
SCHEMBL8629075 0.89 MAPT (0.42) MAPTPOLBGAAALDH1A1MEN1
SCHEMBL8631602 0.89 CDC25A (0.43) MAPTKDM1APOLBGAAEDNRB
SCHEMBL8629350 0.89 SMN1; SMN2 (0.46) MAPTKDM1APOLBGAAEDNRB
SCHEMBL8628706 0.87 MAPT (0.44) MAPTKDM1APOLBGAAEDNRB
SCHEMBL8633160 0.87 MEN1 (0.43) MAPTKDM1APOLBGAAEDNRB
SCHEMBL8628554 0.87 PRMT1 (0.41) MAPTKDM1APOLBGAAEDNRB
SCHEMBL8633218 0.85 EDNRB (0.42) MAPTKDM1APOLBGAAEDNRB
SCHEMBL8635404 0.85 MAPT (0.41) MAPTKDM1APOLBGAAEDNRB
SCHEMBL8631576 0.85 MAPT (0.41) MAPTKDM1APOLBGAAEDNRB
SCHEMBL8632284 0.81 AR (0.40) MAPTKDM1APOLBGAAEDNRB

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