SCHEMBL8635404

SCHEMBL8635404

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
KDM1A O60341 2/20 0.41
NAT1 P18440 1/20 0.40
POLB P06746 3/20 0.39
GAA P10253 2/20 0.39
EDNRB P24530 2/20 0.38
EDNRA P25101 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
CDC7 O00311 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
SCHEMBL8633819 0.91 KDM4E (0.41) MAPTPOLBGAAALDH1A1MEN1
SCHEMBL8631604 0.86 SMN1; SMN2 (0.46) MAPTKDM1ANAT1POLBGAA
SCHEMBL8631830 0.86 CDC7 (0.44) MAPTKDM1ANAT1POLBEDNRB
SCHEMBL8629951 0.85 MAPT (0.43) MAPTKDM1ANAT1POLBGAA
SCHEMBL8628706 0.85 MAPT (0.44) MAPTKDM1ANAT1POLBGAA
SCHEMBL8631576 0.85 MAPT (0.41) MAPTKDM1ANAT1POLBGAA
SCHEMBL8627773 0.84 PRMT1 (0.42) MAPTKDM1ANAT1POLBGAA
SCHEMBL8632801 0.84 MEN1 (0.43) MAPTKDM1ANAT1POLBEDNRB
SCHEMBL8633218 0.84 EDNRB (0.42) MAPTKDM1ANAT1POLBGAA
SCHEMBL8630165 0.82 ACLY (0.39) KDM1AEDNRAALDH1A1

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