SCHEMBL7899545

SCHEMBL7899545

CC(=O)Nc1ccc(S(=O)(=O)C(CC#CCOc2ccccc2)C(N)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.51
MMP2 P08253 3/20 0.51
MMP3 P08254 3/20 0.51
MAPT P10636 5/20 0.45
POLB P06746 2/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
ADAM17 P78536 1/20 0.43
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR3C1 P04150 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL7900002 0.86 MMP2 (0.46) MMP13MMP2MMP3MAPTPOLB
SCHEMBL7451339 0.78 MMP2 (0.58) MMP13MMP2MMP3MAPTPOLB
SCHEMBL9661011 0.67 MAPT (0.78) MAPTPOLBPKMMEN1KMT2A
SCHEMBL16774419 0.67 KMT2A (0.59) MAPTMEN1KMT2ALMNAHTT
SCHEMBL7356599 0.66 KMT2A (0.67) MAPTMEN1KMT2ALMNAHTT
SCHEMBL14544527 0.66 ALDH1A1 (0.71) MAPTPOLBPKMMEN1KMT2A
SCHEMBL24534671 0.66 MEN1 (0.74) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL9811421 0.65 ALDH1A1 (0.54) POLBMEN1KMT2AHTTALDH1A1
SCHEMBL12891199 0.64 POLB (0.60) MMP13MMP2MAPTPOLBMEN1
Acetylsulfanilamide SCHEMBL17360801 0.64 CA1 (0.86) MEN1KMT2AALDH1A1L3MBTL1IDO1

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-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed