SCHEMBL7996966

SCHEMBL7996966

CCC(C(=O)NO)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 13/20 0.53
MMP13 P45452 11/20 0.53
MMP1 P03956 9/20 0.51
ADAM17 P78536 5/20 0.51
MMP2 P08253 7/20 0.47
MMP3 P08254 3/20 0.47
MMP7 P09237 3/20 0.47
KMT2A Q03164 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP8 P22894 1/20 0.44
CA12 O43570 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MMP14 P50281 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 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
SCHEMBL6932142 0.81 MMP9 (0.51) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7418098 0.75 MMP2 (0.59) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL13813079 0.72 MMP2 (0.47) MMP9MMP13MMP1MMP2MMP3
SCHEMBL12674211 0.72 MMP2 (0.47) MMP9MMP13MMP1MMP2MMP3
SCHEMBL27512626 0.71 MMP13 (0.75) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7324090 0.71 MMP13 (0.71) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL6934202 0.71 MMP13 (0.53) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL10763538 0.70 MMP2 (0.46) MMP9MMP13MMP1MMP2MMP3
SCHEMBL8013573 0.70 MMP2 (0.55) MMP9MMP13MMP1MMP2MMP3
SCHEMBL7366507 0.70 MMP2 (0.52) MMP9MMP13MMP1MMP2MMP3

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-6288086-B1 COMPOUNDS SUCH AS 1-METHYL-4-(4-BUTOXY-BENZENESULFONYL) -PIPERIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE USED TO TREAT ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, ETC.; LOW MOLECULAR WEIGHT AND NON-PEPTIDAL AMERICAN CYANAMID COMPANY 2001-09-11 US disclosed