SCHEMBL7606033

SCHEMBL7606033

CCCCC(NC(=O)c1cccc(NC(=O)c2cccc([C@H](Cc3ccccc3)C(=O)CNS(=O)(=O)c3ccccc3)c2Oc2ccccc2)c1Oc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.37
KCNA5 P22460 4/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
CTSK P43235 3/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
RAB9A P51151 1/20 0.32
ADAMTS4 O75173 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
MEP1B Q16820 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CTSS P25774 1/20 0.32
PYGL P06737 1/20 0.32

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
SCHEMBL7599622 0.88 CAPN1 (0.33) MMP1MMP13
SCHEMBL7675029 0.78 L3MBTL1 (0.44) CASP1RAB9AADAMTS4MMP1MMP2
SCHEMBL7701336 0.73 CASP1 (0.49) CASP1KCNA5ADAMTS4MMP1MMP2
SCHEMBL7428250 0.72 KCNA5 (0.44) CASP1KCNA5CTSKMMP1MMP2
SCHEMBL7564537 0.71 CA2 (0.54) CASP1CA12CA1CA9RAB9A
SCHEMBL7422050 0.70 KCNA5 (0.49) KCNA5MMP1MMP13CTSS
SCHEMBL7421842 0.69 L3MBTL1 (0.46) RAB9A
SCHEMBL7701291 0.69 GFER (0.41) CASP1CTSKRAB9AADAMTS4MMP1
SCHEMBL7695233 0.68 CAPN1 (0.54) CASP1KCNA5CTSKMMP1MMP2
SCHEMBL7703759 0.67 CASP1 (0.41) CASP1KCNA5RAB9AMMP1KEAP1

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