SCHEMBL7323477

SCHEMBL7323477

COc1ccc(S(=O)(=O)c2c(C)c(N)c(-c3cccnc3)c(Cc3cccnc3)c2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.44
MMP9 P14780 7/20 0.42
MMP1 P03956 5/20 0.42
MMP13 P45452 5/20 0.42
ADAM17 P78536 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MMP2 P08253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TBXAS1 P24557 1/20 0.39
F2 P00734 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7320893 0.92 NAMPT (0.46) NAMPTMMP9MMP1MMP13ADAM17
SCHEMBL7322594 0.91 MMP13 (0.47) NAMPTMMP9MMP1MMP13ADAM17
SCHEMBL7319935 0.90 NAMPT (0.48) NAMPTMMP9MMP1MMP13ADAM17
SCHEMBL7311380 0.90 NAMPT (0.48) NAMPTMMP9MMP1MMP13ADAM17
SCHEMBL7319594 0.88 NAMPT (0.42) NAMPTMMP9MMP1MMP13ADAM17
SCHEMBL7354595 0.88 MMP9 (0.48) NAMPTMMP9MMP1MMP13ADAM17
SCHEMBL7311857 0.88 NAMPT (0.46) NAMPTMMP9MMP1MMP13ADAM17
SCHEMBL7352965 0.88 MMP9 (0.44) NAMPTMMP9MMP1MMP13ADAM17
SCHEMBL7312212 0.87 NAMPT (0.41) NAMPTMMP9MMP1MMP13KEAP1
SCHEMBL7321470 0.86 NAMPT (0.41) NAMPTMMP9MMP1MMP13ADAM17

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