SCHEMBL7512865

SCHEMBL7512865

COC(=O)C(N)(CC#Cc1ccccc1)S(=O)(=O)c1ccc(Br)s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MMP2 P08253 3/20 0.38
MMP3 P08254 2/20 0.38
MMP13 P45452 2/20 0.38
MMP1 P03956 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MMP9 P14780 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 2/20 0.36
GRK2 P25098 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7507876 0.82 MMP2 (0.60) KMT2AMEN1ALDH1A1MMP2MMP3
SCHEMBL7449935 0.82 MMP13 (0.60) KMT2AMEN1ALDH1A1MMP2MMP3
SCHEMBL7572580 0.78 MMP13 (0.39) MMP2MMP3MMP13MMP1MMP9
SCHEMBL7502964 0.77 MMP13 (0.50) ALDH1A1MMP2MMP3MMP13MMP1
SCHEMBL7502278 0.75 MMP13 (0.55) ALDH1A1MMP2MMP3MMP13MMP1
SCHEMBL7502706 0.75 MMP13 (0.50) MMP2MMP3MMP13MMP1MMP9
SCHEMBL7587417 0.75 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL7499238 0.73 MMP13 (0.59) ALDH1A1MMP2MMP3MMP13MMP1
SCHEMBL7447271 0.73 MMP2 (0.59) KMT2AMEN1ALDH1A1MMP2MMP3
SCHEMBL7512859 0.71 MMP13 (0.60) MMP2MMP3MMP13MMP1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165501-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed
WO-2000051975-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed