SCHEMBL4381231

SCHEMBL4381231

N#C/N=C(/NCCCC[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO)NCCN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 9/20 0.43
MMP13 P45452 3/20 0.43
MMP2 P08253 5/20 0.42
TACR2 P21452 2/20 0.42
MMP9 P14780 3/20 0.42
ADAM17 P78536 3/20 0.42
MMP1 P03956 2/20 0.42
MMP14 P50281 2/20 0.42
MMP3 P08254 1/20 0.41
ADAM10 O14672 2/20 0.41
KMT2A Q03164 1/20 0.41
ADAM8 P78325 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
SCHEMBL1801225 0.85 BMP1 (0.51) BMP1MMP13MMP2MMP9ADAM17
SCHEMBL3878927 0.85 MMP13 (0.53) BMP1MMP13MMP2TACR2MMP9
SCHEMBL3875831 0.84 MMP13 (0.54) BMP1MMP13MMP2TACR2MMP9
SCHEMBL4369618 0.84 BMP1 (0.51) BMP1MMP13MMP2MMP9ADAM17
SCHEMBL1800811 0.83 BMP1 (0.51) BMP1MMP13MMP2MMP9ADAM17
SCHEMBL1800828 0.81 BMP1 (0.51) BMP1MMP13MMP2MMP9ADAM17
SCHEMBL4370883 0.81 WNT3A (0.37) MMP2MMP9ADAM17MMP1MMP14
SCHEMBL1799823 0.81 ADAM17 (0.42) BMP1MMP13MMP2MMP9ADAM17
SCHEMBL4369114 0.80 MMP2 (0.40) MMP13MMP2TACR2MMP9MMP1
SCHEMBL1799495 0.79 ADAM17 (0.47) BMP1MMP13MMP2MMP9ADAM17

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
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed