SCHEMBL19619503

SCHEMBL19619503

CS(C)(C)C#Cc1ccc(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.55
CA1 P00915 12/20 0.46
CA2 P00918 12/20 0.46
CA7 P43166 3/20 0.43
CA13 Q8N1Q1 3/20 0.43
CA12 O43570 2/20 0.43
CA6 P23280 2/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
STAT3 P40763 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL941570 0.84 MMP2 (0.61) MMP2CA1CA2CA7CA13
SCHEMBL940709 0.84 MMP2 (0.54) MMP2CA1CA2CA7CA13
SCHEMBL940094 0.81 MMP2 (0.60) MMP2CA1CA2CA7CA13
SCHEMBL940201 0.81 MMP2 (0.60) MMP2CA1CA2CA7CA13
SCHEMBL939528 0.81 MMP2 (0.66) MMP2CA1CA2CA7CA13
SCHEMBL942895 0.79 MMP2 (0.64) MMP2CA1CA2CA7CA13
SCHEMBL939843 0.78 MMP2 (0.66) MMP2CA1CA2CA7CA13
SCHEMBL7994545 0.78 MMP2 (0.66) MMP2CA1CA2CA7CA13
SCHEMBL941037 0.78 MMP2 (0.70) MMP2CA1CA2CA7CA13
SCHEMBL939496 0.77 MMP2 (0.61) MMP2CA1CA2CA7CA13

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-9822092-B2 ArylSulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2017-11-21 US disclosed