SCHEMBL28040575

SCHEMBL28040575

O=C(O)c1ccc(CC[SH](=O)=O)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.58
TSHR P16473 2/20 0.54
LMNA P02545 1/20 0.54
HCAR3 P49019 13/20 0.50
APEX1 P27695 1/20 0.50
KMT2A Q03164 1/20 0.47
PDK1 Q15118 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
SCHEMBL27588721 0.86 CASP6 (0.60) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL8092214 0.83 CASP6 (0.64) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL27411911 0.81 CASP6 (0.62) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL5913447 0.81 CASP6 (0.62) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL6180268 0.81 HCAR3 (0.64) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL30481076 0.81 CASP6 (0.66) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL20757 0.81 PDK1 (0.68) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL1483517 0.81 CASP6 (0.66) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL6341472 0.81 CASP6 (0.66) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL1251308 0.80 CASP6 (0.64) CASP6TSHRLMNAHCAR3APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105228982-B 3-acetylamino-1- (phenyl-heteroaryl-aminocarbonyl or phenyl-heteroaryl-carbonylamino) benzene derivatives for the treatment of hyperproliferative disorders 拜耳制药股份公司 2018-03-27 CN disclosed
CN-105579457-B Substituted N-biphenyl-3-acetylamino-benzamides and N- [3- (acetylamino) phenyl ] -biphenyl-carboxamides and their use as WNT signaling pathway inhibitors 拜耳制药股份公司 2017-08-04 CN disclosed
CN-105579457-A Substituted N-biphenyl-3-acetylamino-benzamides and N- [3- (acetylamino) phenyl ] -biphenyl-carboxamides and their use as WNT signaling pathway inhibitors Bayer Pharma AG 2016-05-11 CN disclosed
CN-105228982-A 3-acetylamino-1- (phenyl-heteroaryl-aminocarbonyl or phenyl-heteroaryl-carbonylamino) benzene derivatives for the treatment of hyperproliferative disorders Bayer Pharma AG 2016-01-06 CN disclosed