SCHEMBL7599622

SCHEMBL7599622

CCCCC(NC(=O)c1cccc(NC(=O)c2cccc([C@H](Cc3ccccc3)C(=O)CNS(=O)(=O)c3ccccc3)c2Oc2ccc(CN3CCCC3)cc2)c1Oc1ccc(N2CCCC2)cc1)C(=O)CNS(=O)(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.33
MAPT P10636 5/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
BCL2 P10415 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31
GAA P10253 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31

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
SCHEMBL7606033 0.88 CASP1 (0.37) MMP1MMP13
SCHEMBL7701291 0.78 GFER (0.41) MAPTALDH1A1LMNAKMT2ATSHR
SCHEMBL7690197 0.72 CAPN1 (0.51) CAPN1ALDH1A1LMNAKMT2APOLB
SCHEMBL7697381 0.71 CAPN1 (0.50) CAPN1ALDH1A1LMNAKMT2APOLB
SCHEMBL7697236 0.70 CAPN1 (0.51) CAPN1ALDH1A1LMNAKMT2APOLB
SCHEMBL7675029 0.68 L3MBTL1 (0.44) MAPTALDH1A1LMNAKMT2APOLB
SCHEMBL7697613 0.67 CAPN1 (0.52) CAPN1ALDH1A1LMNAKMT2APOLB
SCHEMBL7694145 0.67 CAPN1 (0.49) CAPN1ALDH1A1LMNAKMT2APOLB
SCHEMBL7691261 0.66 CAPN1 (0.47) CAPN1ALDH1A1LMNAKMT2ABCL2
SCHEMBL7697278 0.65 CAPN1 (0.47) CAPN1ALDH1A1LMNAKMT2ABCL2

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