SCHEMBL7322608

SCHEMBL7322608

COC(=O)c1c(Cc2cccnc2)c(-c2ccc(Cl)s2)c(N)c(C)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.42
MMP1 P03956 3/20 0.41
MMP9 P14780 3/20 0.41
MMP13 P45452 3/20 0.41
CISD2 Q8N5K1 1/20 0.39
ADAM17 P78536 1/20 0.38
CHRM4 P08173 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL7312212 0.93 NAMPT (0.41) NAMPTMMP1MMP9MMP13CHRM4
SCHEMBL7321186 0.92 MMP13 (0.43) NAMPTMMP1MMP9MMP13ADAM17
SCHEMBL7319557 0.90 NAMPT (0.42) NAMPTMMP1MMP9MMP13CISD2
SCHEMBL7321883 0.88 NAMPT (0.43) NAMPTMMP1MMP9MMP13CISD2
SCHEMBL7320893 0.87 NAMPT (0.46) NAMPTMMP1MMP9MMP13ADAM17
SCHEMBL7324058 0.86 NAMPT (0.49) NAMPTMMP1MMP9MMP13ADAM17
SCHEMBL7319145 0.84 NAMPT (0.47) NAMPTMMP1MMP9MMP13ADAM17
SCHEMBL7317439 0.84 MMP13 (0.49) NAMPTMMP1MMP9MMP13ADAM17
SCHEMBL7324688 0.84 MMP1 (0.46) NAMPTMMP1MMP9MMP13ADAM17
SCHEMBL7321470 0.83 NAMPT (0.41) NAMPTMMP1MMP9MMP13ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed