SCHEMBL7073767

SCHEMBL7073767

COC(=O)CC(CS(=O)(=O)c1ccc(Sc2ccc(N)cc2)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.49
MMP2 P08253 3/20 0.43
MMP1 P03956 1/20 0.43
ALDH1A1 P00352 2/20 0.43
F2 P00734 2/20 0.40
F10 P00742 2/20 0.40
PRSS1 P07477 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNA5 P22460 1/20 0.37
MMP3 P08254 2/20 0.36
MMP8 P22894 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL7077837 0.90 ALDH1A1 (0.45) MMP13MMP2ALDH1A1F2F10
SCHEMBL7074308 0.89 MMP13 (0.45) MMP13MMP2MMP1ALDH1A1F2
SCHEMBL7075400 0.88 F2 (0.45) MMP13MMP2ALDH1A1F2F10
SCHEMBL7078814 0.88 MMP13 (0.48) MMP13MMP2MMP1ALDH1A1F2
SCHEMBL8359412 0.83 MMP13 (0.42) MMP13MMP2MMP1ALDH1A1KCNA5
SCHEMBL7073376 0.82 ALDH1A1 (0.46) MMP13MMP2MMP1ALDH1A1F2
SCHEMBL7079059 0.81 ALDH1A1 (0.45) MMP13MMP2ALDH1A1MEN1KMT2A
SCHEMBL7079124 0.81 ALDH1A1 (0.45) MMP13MMP2ALDH1A1MEN1KMT2A
SCHEMBL7077874 0.79 F2 (0.46) MMP2MMP1ALDH1A1F2F10
SCHEMBL7078927 0.77 CA12 (0.44) MMP13MMP2MMP1ALDH1A1F2

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
WO-2003059872-A1 AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO disclosed