SCHEMBL4773050

SCHEMBL4773050

COC(=O)c1sc(C(=O)C2CCOCC2)cc1N.COC(=O)c1sc(C(=O)C2CCOCC2)cc1NC(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.37
HDAC2 Q92769 10/20 0.37
HDAC3 O15379 7/20 0.37
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
IKBKB O14920 1/20 0.35
CFTR P13569 1/20 0.34
MAPK14 Q16539 2/20 0.33
RAF1 P04049 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL4256835 0.94 KDM4E (0.39) HDAC1HDAC2HDAC3KDM4EHTT
SCHEMBL4256288 0.86 KDM4E (0.41) HDAC1HDAC2HDAC3KDM4EHTT
SCHEMBL4166268 0.84 KDM4E (0.41) KDM4EHTTATMMAPK14RAF1
SCHEMBL4776291 0.79 IKBKB (0.40) KDM4EIKBKBCFTRMAPK14RAF1
SCHEMBL4774820 0.77 MEN1 (0.50) KDM4EHTTNPC1MAPTCASP3
SCHEMBL4176316 0.76 KDM4E (0.44) KDM4EHTTATMIKBKBNPC1
SCHEMBL4775338 0.74 ALDH1A1 (0.34) HDAC1HDAC2HDAC3KDM4EHTT
SCHEMBL14434356 0.73 KDM4E (0.43) KDM4EMAPK14RAF1MAPT
SCHEMBL4261811 0.73 RAF1 (0.39) KDM4EMAPK14RAF1MAPT
SCHEMBL4776318 0.70 IKBKB (0.35) KDM4EHTTATMIKBKBCFTR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986646-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093363-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed