SCHEMBL7316602

SCHEMBL7316602

COC(=O)c1cc(C)cc(Br)c1NCc1cccnc1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.43
MMP9 P14780 15/20 0.43
MMP1 P03956 11/20 0.43
MMP2 P08253 9/20 0.43
MMP8 P22894 9/20 0.43
MMP12 P39900 6/20 0.43
MMP14 P50281 6/20 0.43
MMP16 P51512 6/20 0.43
ADAM17 P78536 6/20 0.43
MMP3 P08254 5/20 0.43
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NAMPT P43490 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
SCHEMBL7324220 0.94 MMP13 (0.46) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7324047 0.92 GABRG2 (0.42) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7317430 0.88 MMP9 (0.44) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7323008 0.86 MMP1 (0.47) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7319136 0.85 SMN1; SMN2 (0.40) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7321745 0.85 MMP13 (0.49) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7319818 0.85 MAPT (0.39) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7311368 0.84 METAP2 (0.43) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7322262 0.84 LMNA (0.43) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7314515 0.84 KDM4E (0.41) MMP13MMP9MMP1MMP2MMP8

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