SCHEMBL7325340

SCHEMBL7325340

COc1ccc(S(=O)(=O)c2ncccc2CNc2ccccc2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
MMP2 P08253 8/20 0.45
MMP12 P39900 8/20 0.45
MMP8 P22894 7/20 0.45
MMP13 P45452 7/20 0.45
MMP14 P50281 7/20 0.45
MMP16 P51512 7/20 0.45
MMP9 P14780 7/20 0.45
MMP1 P03956 4/20 0.45
MMP3 P08254 4/20 0.45
ADAM17 P78536 1/20 0.45
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4C Q9H3R0 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL7319351 0.90 MMP13 (0.54) MMP2MMP12MMP8MMP13MMP14
SCHEMBL7311156 0.85 KDM4E (0.44) MMP2MMP12MMP8MMP13MMP14
SCHEMBL7316579 0.85 KDM4E (0.44) MMP2MMP12MMP8MMP13MMP14
SCHEMBL7311368 0.82 METAP2 (0.43) MMP2MMP12MMP8MMP13MMP14
SCHEMBL7318336 0.81 KDM4E (0.41) MMP2MMP12MMP8MMP13MMP14
SCHEMBL7322214 0.81 KDM4E (0.40) MMP2MMP12MMP8MMP13MMP14
SCHEMBL7316350 0.81 MMP1 (0.42) MMP2MMP12MMP8MMP13MMP14
SCHEMBL7354583 0.80 MMP13 (0.44) MMP2MMP12MMP8MMP13MMP14
SCHEMBL7311850 0.80 KDM4E (0.42) MMP2MMP12MMP8MMP13MMP14
SCHEMBL7319926 0.80 MMP2 (0.43) MMP2MMP12MMP8MMP13MMP14

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed