SCHEMBL8631094

SCHEMBL8631094

CCc1[nH]nc(NS(=O)(=O)c2ccccc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.46
S1PR1 P21453 1/20 0.46
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NAT1 P18440 1/20 0.43
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CDC7 O00311 1/20 0.41
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL8629108 0.88 EDNRB (0.47) KDM1AMAPTNPSR1MAPK1MEN1
SCHEMBL8633966 0.84 KDM1A (0.49) KDM1AMAPTNPSR1MAPK1MEN1
SCHEMBL8627790 0.83 MAPT (0.45) KDM1AMAPTNPSR1MAPK1MEN1
SCHEMBL8632291 0.81 KDM1A (0.46) KDM1AMAPTNPSR1MAPK1MEN1
SCHEMBL8635070 0.79 KDM1A (0.49) KDM1AMAPTNPSR1MAPK1MEN1
SCHEMBL8632682 0.79 KDM1A (0.46) KDM1AMAPTNPSR1MAPK1MEN1
SCHEMBL8631594 0.78 KDM1A (0.46) KDM1AMAPTNPSR1MAPK1MEN1
SCHEMBL8635015 0.77 KDM1A (0.45) KDM1AMAPTNPSR1MAPK1MEN1
SCHEMBL8627973 0.74 KDM1A (0.51) KDM1AMAPTNPSR1MAPK1MEN1
SCHEMBL8632313 0.73 SMN1; SMN2 (0.58) KDM1AMAPTMEN1KMT2ANAT1

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