SCHEMBL7413373

SCHEMBL7413373

COC(=O)c1cnc(NC(=O)c2ccccc2C(=O)O)c(NC(=O)c2ccc(C(N)=S)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.44
CHEK1 O14757 1/20 0.43
PIM1 P11309 1/20 0.43
MAPK8 P45983 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
PPARG P37231 3/20 0.42
PPARA Q07869 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F10 P00742 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL7416030 0.86 KMT2A (0.50) CREBBPCHEK1PIM1MAPK8CLK4
SCHEMBL7410953 0.85 ALDH1A1 (0.47) NR1H4KMT2AMEN1POLBMAPT
SCHEMBL7407271 0.84 F10 (0.51) KMT2AMEN1LMNAPOLBGAA
SCHEMBL8417467 0.82 KMT2A (0.53) CHEK1PIM1MAPK8CLK4KMT2A
SCHEMBL7408701 0.81 KMT2A (0.43) CREBBPCHEK1PIM1MAPK8CLK4
SCHEMBL7411939 0.80 MEN1 (0.60) KMT2AMEN1GAAMAPTF10
SCHEMBL8414166 0.78 CHEK1 (0.51) CHEK1PIM1MAPK8CLK4KMT2A
SCHEMBL7413259 0.78 MEN1 (0.56) CREBBPPPARGPPARANR1H4KMT2A
SCHEMBL7460237 0.77 NR1H4 (0.47) PPARGNR1H4KMT2AMEN1RAB9A
SCHEMBL7407140 0.76 PLAU (0.50) KMT2AMEN1LMNAPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999042439-A1 NOVEL THIOBENZAMIDES ROCHE DIAGNOSTICS GMBH (DE) 1999-08-26 WO claimed
WO-1999042439-A1 NOVEL THIOBENZAMIDES ROCHE DIAGNOSTICS GMBH (DE) 1999-08-26 WO disclosed
EP-0937711-A1 Thiobenzamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1999-08-25 EP disclosed