SCHEMBL7317768

SCHEMBL7317768

CNc1c(Br)cc(C(=O)NO)c(S(=O)(=O)c2ccc(OC)cc2)c1CN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 15/20 0.45
MMP13 P45452 15/20 0.45
MMP1 P03956 14/20 0.45
ADAM17 P78536 11/20 0.45
MMP2 P08253 3/20 0.44
MMP8 P22894 3/20 0.44
MMP12 P39900 3/20 0.44
MMP14 P50281 3/20 0.44
MMP16 P51512 3/20 0.44
MMP3 P08254 4/20 0.42
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL7315622 0.82 MMP13 (0.46) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7316400 0.77 MMP9 (0.54) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7325394 0.75 MMP13 (0.56) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7315190 0.75 MMP9 (0.46) MMP9MMP13MMP1ADAM17
SCHEMBL7317761 0.73 MMP9 (0.57) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7316642 0.72 MMP9 (0.48) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7321295 0.71 MMP9 (0.49) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7323234 0.69 MMP1 (0.44) MMP9MMP13MMP1ADAM17ALDH1A1
SCHEMBL7316231 0.69 MMP1 (0.44) MMP9MMP13MMP1ADAM17ALDH1A1
SCHEMBL7317764 0.69 MMP1 (0.86) MMP9MMP13MMP1ADAM17

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