SCHEMBL7429916

SCHEMBL7429916

CCCCC(NC(=O)c1ccc(Nc2ccc3ccccc3c2)cc1C)C(=O)CNS(C)(=O)=O.NC(=O)c1ccccc1Nc1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
PYGL P06737 3/20 0.40
CYP2C9 P11712 2/20 0.40
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
SIRT2 Q8IXJ6 6/20 0.36
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
ACE P12821 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
TNIK Q9UKE5 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
CCKBR P32239 1/20 0.34
CA2 P00918 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
SCHEMBL7683061 0.92 PYGL (0.43) PYGLCYP2C9MMP1MMP7ACE
SCHEMBL7421589 0.83 PYGL (0.43) PYGLCYP2C9MMP1MMP7ACE
SCHEMBL7428036 0.83 CA2 (0.45) PYGLCYP2C9MMP1MMP7ACE
SCHEMBL7703492 0.79 CA2 (0.42) ACECCKBRCA2
SCHEMBL7425669 0.75 ALDH1A1 (0.52) MMP1MMP7ACEMMP12MMP13
SCHEMBL7684139 0.74 CA2 (0.48) MMP1MMP7ACEMMP12MMP13
SCHEMBL7659998 0.71 MEN1 (0.45) PYGLCYP2C9CCKBRCASP1
SCHEMBL7702126 0.71 PLAT (0.45) CCKBRCA2CASP1
SCHEMBL7668106 0.71 CASP1 (0.46) PYGLCYP2C9CCKBRCASP1
SCHEMBL7422050 0.71 KCNA5 (0.49) MMP1MMP7ACEMMP12MMP13

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-1073632-A1 SUBSTITUTED BENZAMIDES, THEIR PRODUCTION AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-07 EP disclosed
WO-1999054293-A1 SUBSTITUTED BENZAMIDES, THEIR PRODUCTION AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-10-28 WO disclosed