SCHEMBL7407271

SCHEMBL7407271

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
MAPK10 P53779 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL7411939 0.91 MEN1 (0.60) F10KMT2AMEN1MAPTNPSR1
SCHEMBL8417467 0.89 KMT2A (0.53) F10KMT2AMEN1KDM4EALDH1A1
SCHEMBL7407367 0.88 CYP2C9 (0.52) F10KMT2AMEN1ALDH1A1NPSR1
SCHEMBL7410953 0.87 ALDH1A1 (0.47) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL7407190 0.85 F10 (0.68) F10KMT2AMEN1KDM4EALDH1A1
SCHEMBL7404902 0.85 F10 (0.68) F10KMT2AMEN1KDM4EALDH1A1
SCHEMBL7413373 0.84 CREBBP (0.44) F10KMT2AMEN1KDM4EALDH1A1
SCHEMBL7411059 0.81 F10 (0.57) F10KMT2AMEN1ALDH1A1POLB
SCHEMBL7410267 0.81 F10 (0.57) F10KMT2AMEN1ALDH1A1POLB
SCHEMBL8414166 0.81 CHEK1 (0.51) F10KMT2AMEN1KDM4EALDH1A1

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