SCHEMBL8632284

SCHEMBL8632284

N#CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1COCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 5/20 0.39
KDM1A O60341 2/20 0.38
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
DHFR P00374 1/20 0.36
GHSR Q92847 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
CDC7 O00311 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
NAT1 P18440 1/20 0.35
BCL2L1 Q07817 1/20 0.35

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
SCHEMBL8635630 0.91 AR (0.40) ARMAPTGAAPOLBMEN1
SCHEMBL8630518 0.89 AR (0.43) ARPTGS1PTGS2MAPTKDM1A
SCHEMBL8635051 0.88 SMN1; SMN2 (0.42) ARPTGS1PTGS2MAPTKDM1A
SCHEMBL8631648 0.87 AR (0.41) ARPTGS1PTGS2MAPTKDM1A
SCHEMBL8633218 0.85 EDNRB (0.42) MAPTKDM1AEDNRBEDNRAGAA
SCHEMBL8632683 0.85 MEN1 (0.40) ARPTGS1PTGS2MAPTKDM1A
SCHEMBL8629870 0.83 NPC1 (0.39) PTGS1PTGS2MAPTKDM1AGHSR
SCHEMBL8628706 0.81 MAPT (0.44) MAPTKDM1AEDNRBEDNRAGAA
SCHEMBL8629951 0.81 MAPT (0.43) MAPTKDM1AEDNRBEDNRAGAA
SCHEMBL8631394 0.81 AR (0.43) ARPTGS2MAPTGAAMEN1

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