SCHEMBL7411341

SCHEMBL7411341

COc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2NC(=O)c2ccc(C(N)=S)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
HDAC3 O15379 4/20 0.53
NCOR2 Q9Y618 4/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC2 Q92769 3/20 0.53
F10 P00742 2/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP2C9 P11712 2/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SLC16A3 O15427 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL7402259 0.97 MEN1 (0.67) MEN1KMT2AHDAC3NCOR2HDAC1
SCHEMBL7407210 0.88 CYP2C9 (0.62) MEN1KMT2AHDAC3NCOR2HDAC1
SCHEMBL7410644 0.88 MEN1 (0.84) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL7409183 0.88 MEN1 (0.84) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL7514090 0.86 MEN1 (0.52) MEN1KMT2AHDAC3NCOR2HDAC1
SCHEMBL7413497 0.83 SLC16A3 (0.52) KMT2AF10ALDH1A1LMNASMN1; SMN2
SCHEMBL7411588 0.83 ALDH1A1 (0.47) MEN1KMT2AHDAC3NCOR2HDAC1
SCHEMBL7407367 0.80 CYP2C9 (0.52) MEN1KMT2AHDAC3NCOR2HDAC1
SCHEMBL7411350 0.80 GPR27 (0.51) MEN1KMT2AF10ALDH1A1LMNA
SCHEMBL8415881 0.79 ALDH1A1 (0.47) MEN1KMT2AHDAC3NCOR2HDAC1

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