SCHEMBL9705169

SCHEMBL9705169

COc1ccc(S(=O)(=O)C[NH])cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.61
MMP13 P45452 8/20 0.59
MMP8 P22894 2/20 0.59
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MMP1 P03956 5/20 0.56
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 1/20 0.50
PKLR P30613 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL6708168 0.84 PKM (0.64) PKMMMP13MMP8HTTNPSR1
SCHEMBL3250372 0.84 PKM (0.64) PKMMMP13MMP8HTTNPSR1
SCHEMBL14468640 0.81 PKM (0.59) PKMMMP13MMP8HTTNPSR1
SCHEMBL9703007 0.81 HTT (0.66) PKMMMP13MMP8HTTNPSR1
SCHEMBL9109608 0.81 PKM (0.59) PKMMMP13MMP8HTTNPSR1
SCHEMBL11797251 0.81 PKM (0.59) PKMMMP13MMP8HTTNPSR1
SCHEMBL28593715 0.80 PKM (0.53) PKMMMP13MMP8HTTNPSR1
SCHEMBL11986342 0.79 MMP13 (0.61) PKMMMP13MMP8HTTNPSR1
SCHEMBL4195258 0.79 MMP13 (0.66) PKMMMP13MMP8HTTNPSR1
SCHEMBL7076712 0.79 MMP13 (0.83) PKMMMP13MMP8HTTNPSR1

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
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed