SCHEMBL6024319

SCHEMBL6024319

Cc1cc(C#N)ccc1N1CCN(C(=O)C2CCN(C(=NC#N)Oc3ccccc3)CC2C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
AR P10275 2/20 0.37
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
MGLL Q99685 5/20 0.35
ADAM10 O14672 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
ADAM17 P78536 2/20 0.35
CTSK P43235 3/20 0.35
CTSS P25774 2/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35
CTSB P07858 1/20 0.34

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
SCHEMBL3456952 1.00 POLB (0.37) POLBARALDH1A1KMT2AMGLL
SCHEMBL3456956 1.00 POLB (0.37) POLBARALDH1A1KMT2AMGLL
SCHEMBL2173554 0.93 POLB (0.38) POLBARMGLLADAM10MMP2
SCHEMBL2173557 0.85 AR (0.37) POLBARALDH1A1KMT2AMGLL
SCHEMBL3456406 0.83 CTSK (0.42) POLBARALDH1A1KMT2AADAM10
SCHEMBL6024520 0.83 CTSK (0.40) ARADAM10MMP2MMP9MMP14
SCHEMBL3456876 0.83 CTSK (0.40) ARADAM10MMP2MMP9MMP14
SCHEMBL3456872 0.83 CTSK (0.40) ARADAM10MMP2MMP9MMP14
SCHEMBL2176445 0.83 CTSS (0.41) POLBARALDH1A1KMT2AADAM10
SCHEMBL2176442 0.80 CTSK (0.42) POLBARALDH1A1KMT2AADAM10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678167-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES Incyte Corporation (US) 2006-07-12 EP disclosed
WO-2005037826-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2005-04-28 WO disclosed