SCHEMBL7317430

SCHEMBL7317430

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 13/20 0.44
MMP13 P45452 13/20 0.44
MMP1 P03956 10/20 0.44
ADAM17 P78536 10/20 0.44
MMP2 P08253 6/20 0.40
MMP8 P22894 6/20 0.40
MMP3 P08254 3/20 0.40
MMP12 P39900 3/20 0.40
MMP14 P50281 3/20 0.40
MMP16 P51512 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL7354583 0.93 MMP13 (0.44) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7349832 0.92 MMP9 (0.41) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7310011 0.92 MMP13 (0.51) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7324047 0.91 GABRG2 (0.42) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7319136 0.90 SMN1; SMN2 (0.40) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7316602 0.88 MMP13 (0.43) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7322262 0.87 LMNA (0.43) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7320885 0.85 MMP1 (0.44) MMP9MMP13MMP1ADAM17KDM4E
SCHEMBL7320912 0.85 THRB (0.41) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7321745 0.85 MMP13 (0.49) MMP9MMP13MMP1ADAM17MMP2

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