SCHEMBL5248367

SCHEMBL5248367

CC(=O)N1CCSC1c1cc(C(=O)NCc2ccc(F)cc2)c(O)c(O)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 2/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LIPG Q9Y5X9 1/20 0.39
MAPT P10636 4/20 0.39
SCD O00767 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOB P27338 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5114587 0.82 KCNH2 (0.42) SMN1; SMN2HTTGAANPSR1SCD
SCHEMBL1150251 0.76 KCNH2 (0.49) SMN1; SMN2GAANPSR1LIPGMAPT
SCHEMBL5252805 0.74 L3MBTL1 (0.42) SMN1; SMN2HTTGAALIPGMAPT
SCHEMBL5127735 0.73 KCNE1 (0.44) SMN1; SMN2HTTGAANPSR1LMNA
SCHEMBL5119878 0.72 KCNH2 (0.41) SMN1; SMN2HTTGAANPSR1MAPT
SCHEMBL14610362 0.72 ERCC1 (0.39) SMN1; SMN2GAANPSR1MAPTSCD
SCHEMBL14470263 0.71 GAA (0.44) SMN1; SMN2HTTGAANPSR1LIPG
SCHEMBL5113435 0.70 TRPV1 (0.47) GAAMAPTNPC1ALDH1A1RAB9A
SCHEMBL5526067 0.70 LIPG (0.44) SMN1; SMN2HTTGAANPSR1LIPG
SCHEMBL5248875 0.69 RXFP1 (0.40) MAPTLMNATP53MEN1KMT2A

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
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 EP claimed