SCHEMBL8558727

SCHEMBL8558727

CCCc1nc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)o1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CACNA1G O43497 2/20 0.42
PTPN2 P17706 2/20 0.42
PTPN1 P18031 2/20 0.42
PTPN5 P54829 2/20 0.42
HSPD1 P10809 1/20 0.42
HSPE1 P61604 1/20 0.42
HSD11B1 P28845 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
PTGS2 P35354 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL8560795 0.92 EDNRB (0.43) MAPTMEN1KMT2APTPN2PTPN1
SCHEMBL8558401 0.89 MAPT (0.45) MAPTMEN1KMT2APTPN2PTPN1
SCHEMBL8558072 0.89 PTGS2 (0.46) MAPTMEN1KMT2APTPN2PTPN1
SCHEMBL8558539 0.87 PTGS2 (0.47) MAPTMEN1KMT2APTPN2PTPN1
SCHEMBL8556139 0.86 MAPT (0.47) MAPTMEN1KMT2APTPN2PTPN1
SCHEMBL8557761 0.85 MAPT (0.49) MAPTMEN1KMT2APTPN2PTPN1
SCHEMBL9026918 0.84 AR (0.45) MAPTMEN1KMT2APTPN2PTPN1
SCHEMBL8560329 0.83 PTGS2 (0.52) MAPTMEN1KMT2APTPN2PTPN1
SCHEMBL8555819 0.82 MAPT (0.40) MAPTMEN1KMT2APTPN2PTPN1
SCHEMBL8560966 0.82 AR (0.48) MAPTMEN1KMT2APTPN2PTPN1

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed