SCHEMBL10622769

SCHEMBL10622769

CC(C(=O)O)c1cc(N=C=S)ccc1Sc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.38
▸ MIF P14174 1/20 0.36
▸ MMP2 P08253 3/20 0.35
▸ MMP9 P14780 3/20 0.35
▸ MMP12 P39900 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ PTGS2 P35354 3/20 0.34
▸ PTGS1 P23219 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.33
▸ MMP8 P22894 2/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ MMP14 P50281 2/20 0.33
▸ MMP16 P51512 2/20 0.33
▸ CXCL8 P10145 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ AGBL2 Q5U5Z8 1/20 0.32
▸ MMP3 P08254 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
SCHEMBL9235115 0.78 SIRT1 (0.47) MMP2MMP9MMP12PTGS2PTGS1
SCHEMBL10622791 0.76 HPGD (0.47) HTTPTGS2PTGS1MAPTSIRT1
SCHEMBL331001 0.74 MIF (0.46) HSD17B10MIFHTTMAPTSIRT1
SCHEMBL15902948 0.73 PDE7A (0.47) HSD17B10MIFMAPT
SCHEMBL7475089 0.72 MIF (0.42) HSD17B10MIFMMP2MMP9MMP12
SCHEMBL10622715 0.72 PDE7A (0.57) HTTMAPTGAA
SCHEMBL5954570 0.68 MIF (0.64) HSD17B10MIFMAPT
SCHEMBL323934 0.67 MMP2 (0.67) MMP2MMP9MMP12PTGS2GAA
SCHEMBL9419835 0.67 MEN1 (0.49) MMP2MMP9MMP12PTGS2PTGS1
SCHEMBL2204495 0.65 PTGS2 (0.56) HSD17B10MMP2MMP9MMP12PTGS2

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-4771062-A ENZYME INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1988-09-13 — — US disclosed
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