SCHEMBL6850285

SCHEMBL6850285

CN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.41
MMP1 P03956 4/20 0.41
MMP9 P14780 3/20 0.41
ADAM17 P78536 2/20 0.41
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38
MMP8 P22894 3/20 0.38
MMP2 P08253 2/20 0.38
MMP7 P09237 2/20 0.38
MMP12 P39900 2/20 0.38
MMP14 P50281 1/20 0.38
MMP16 P51512 1/20 0.38
MEP1B Q16820 3/20 0.38
POLB P06746 2/20 0.38
EGFR P00533 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 1/20 0.37
BMP1 P13497 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL6863154 0.90 MMP1 (0.40) MMP13MMP1MMP9HTTMMP8
SCHEMBL6863618 0.88 MMP1 (0.45) MMP13MMP1MMP9ADAM17TP53
SCHEMBL328646 0.86 MMP13 (0.46) MMP13MMP1MMP9ADAM17MMP8
SCHEMBL6851737 0.83 TDP1 (0.41) MMP13MMP1MMP9HTTMMP8
SCHEMBL328492 0.82 MMP1 (0.42) MMP13MMP1MMP9MMP8MMP2
SCHEMBL6864863 0.81 MMP2 (0.45) MMP13MMP1MMP9ADAM17MMP8
SCHEMBL328649 0.81 MMP1 (0.44) MMP13MMP1MMP9MMP8MMP2
SCHEMBL328404 0.81 BMP1 (0.43) MMP13MMP1MMP9MMP8MMP2
SCHEMBL6863166 0.81 MMP1 (0.40) MMP13MMP1MMP9ADAM17MMP8
SCHEMBL328658 0.80 HSP90AA1 (0.41) MMP13HTTALDH1A1TBXA2RTBXAS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed
WO-2011041545-A1 METHODS OF TREATING ANEURYSMAL DILATATION, BLOOD VESSEL WALL WEAKNESS AND SPECIFICALLY ABDOMINAL AORTIC AND THORACIC ANEURYSM USING MATRIX METALLOPROTEASE-2 INHIBITORS SYMPHONY EVOLUTION, INC. (US) 2011-04-07 WO disclosed
WO-2011011181-A1 PHARMACOLOGICAL CHAPERONES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AMICUS THERAPEUTICS, INC. (US) 2011-01-27 WO disclosed