SCHEMBL4774422

SCHEMBL4774422

CS(=O)(=O)Cc1ccc(NC2=NC(=O)C(=Cc3cccc4cccnc34)S2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
GLO1 Q04760 2/20 0.36
KMT2A Q03164 4/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 3/20 0.34
BACE1 P56817 1/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTR5A P47898 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4770645 0.91 NEK2 (0.39) GLO1MAPTKDR
SCHEMBL2788312 0.83 PIK3CD (0.45) KMT2AMAPTALDH1A1POLBMEN1
SCHEMBL2788315 0.83 PIK3CD (0.45) KMT2AMAPTALDH1A1POLBMEN1
SCHEMBL4765576 0.81 CHKA (0.41) MAPT
SCHEMBL4765880 0.78 ROCK1 (0.43) KMT2AMEN1L3MBTL1
SCHEMBL4776063 0.77 NQO1 (0.43) MAPTALDH1A1GLAKDM4ERAB9A
SCHEMBL2788317 0.76 PIK3CD (0.43) MAPTPOLBNPC1RAB9AKDR
SCHEMBL2788319 0.76 PIK3CD (0.43) MAPTPOLBNPC1RAB9AKDR
SCHEMBL4772646 0.75 KMT2A (0.52) KMT2A
SCHEMBL4768194 0.72 BACE1 (0.36) GLO1KMT2AHTTMAPTALDH1A1

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-1567112-B1 THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP claimed