SCHEMBL8633966

SCHEMBL8633966

Cc1[nH]nc(NS(=O)(=O)c2ccccc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
IKBKB O14920 1/20 0.47
MAP3K14 Q99558 1/20 0.47
KIT P10721 1/20 0.47
HSD11B1 P28845 1/20 0.45
NAT1 P18440 1/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
EDNRB P24530 2/20 0.44
EDNRA P25101 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL8631094 0.84 KDM1A (0.46) KDM1AHSD11B1NAT1ALDH1A1POLB
SCHEMBL8629108 0.81 EDNRB (0.47) KDM1ANAT1ALDH1A1POLBEDNRB
SCHEMBL8632682 0.81 KDM1A (0.46) KDM1ANAT1ALDH1A1POLBEDNRB
SCHEMBL8635070 0.81 KDM1A (0.49) KDM1ANAT1ALDH1A1POLBEDNRB
SCHEMBL8632291 0.81 KDM1A (0.46) KDM1ANAT1ALDH1A1POLBEDNRB
SCHEMBL8631594 0.81 KDM1A (0.46) KDM1AHSD11B1NAT1ALDH1A1POLB
SCHEMBL8635015 0.80 KDM1A (0.45) KDM1ANAT1ALDH1A1POLBEDNRB
SCHEMBL8627790 0.77 MAPT (0.45) KDM1ANAT1ALDH1A1POLBEDNRB
SCHEMBL8630569 0.75 MEN1 (0.43) HSD11B1POLBNPSR1MAPTKDM4E
SCHEMBL8629853 0.74 MEN1 (0.45) HSD11B1ALDH1A1MAPTKDM4EFFAR4

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