SCHEMBL4776291

SCHEMBL4776291

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.40
RAF1 P04049 9/20 0.38
MAPK14 Q16539 6/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
CFTR P13569 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL4261811 0.94 RAF1 (0.39) RAF1MAPK14KDM4EMAPTALDH1A1
SCHEMBL4775187 0.85 KDM4E (0.48) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL4259136 0.83 KDM4E (0.49) IKBKBKDM4EMAPTNPC1CASP3
SCHEMBL14434356 0.80 KDM4E (0.43) RAF1MAPK14KDM4EMAPTALDH1A1
SCHEMBL4773050 0.79 HDAC1 (0.37) IKBKBRAF1MAPK14KDM4EMAPT
SCHEMBL13906531 0.74 RAF1 (0.45) RAF1MAPK14KDM4EMAPTALDH1A1
SCHEMBL612016 0.73 MAPK14 (0.41) RAF1MAPK14KDM4EMAPTALDH1A1
SCHEMBL4147003 0.73 HPGD (0.42) RAF1MAPK14KDM4EMAPTALDH1A1
SCHEMBL4166268 0.73 KDM4E (0.41) RAF1MAPK14KDM4EMAPTNPC1
SCHEMBL3239031 0.72 KDM4E (0.54) IKBKBKDM4EMAPTNPC1CASP3

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