SCHEMBL4028850

SCHEMBL4028850

Cn1c(-c2sccc2NS(=O)(=O)c2ccc3ccccc3c2)nc(OC(=O)O)c(O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
PGAM1 P18669 2/20 0.40
ALDH1A1 P00352 4/20 0.40
RAD52 P43351 1/20 0.39
MCL1 Q07820 3/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
HSD11B1 P28845 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCL2A1 Q16548 1/20 0.37
SLC16A3 O15427 2/20 0.36

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
SCHEMBL4025980 0.87 ERCC1 (0.48) MEN1KMT2APGAM1ALDH1A1RAD52
SCHEMBL4026962 0.81 F2 (0.39) ALDH1A1
SCHEMBL4028019 0.78 FEN1 (0.39)
SCHEMBL4028505 0.76 ALDH1A1 (0.38) ALDH1A1CA2CA9MAPTGAA
SCHEMBL4031044 0.74 NTRK1 (0.41) ALDH1A1POLBMAPTLMNA
SCHEMBL4027166 0.74 MEN1 (0.37) MEN1KMT2AALDH1A1CA2CA9
SCHEMBL4034538 0.74 ERCC1 (0.35) MEN1KMT2AMAPTLMNA
SCHEMBL4031769 0.74 FEN1 (0.38) ALDH1A1POLBMAPTLMNASMN1; SMN2
SCHEMBL4027681 0.73 ERCC1 (0.41) KMT2AALDH1A1POLBMAPTTDP1
SCHEMBL4029257 0.73 FEN1 (0.44) MEN1KMT2AALDH1A1POLBMAPT

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-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP claimed