SCHEMBL7337196

SCHEMBL7337196

CNC(=O)CC(=O)NC1(Cc2ccccc2)C(=O)NC(=O)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.42
MMP2 P08253 8/20 0.42
MMP8 P22894 7/20 0.42
MMP13 P45452 6/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.36
ADAM17 P78536 1/20 0.35
KDM4E B2RXH2 1/20 0.35
APAF1 O14727 1/20 0.35
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL7343875 0.77 POLB (0.44) MMP9MMP2MMP8MMP13KMT2A
SCHEMBL17294170 0.76 MMP9 (0.46) MMP9MMP2MMP8MMP13KMT2A
SCHEMBL16865428 0.70 MMP9 (0.56) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL5448618 0.68 MMP9 (0.64) MMP9MMP2MMP8MMP13KMT2A
SCHEMBL13620016 0.65 GAA (0.61) KMT2AMEN1CYP3A4HTTALDH1A1
SCHEMBL60236 0.64 MEN1 (0.65) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL17549557 0.64 MAPT (0.36) MMP9MMP2MMP8MMP13KMT2A
SCHEMBL16865403 0.63 MMP9 (0.50) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL7475063 0.63 MMP9 (0.50) MMP9MMP2MMP8MMP13KMT2A
SCHEMBL11276893 0.63 MMP9 (0.50) MMP9MMP2MMP8MMP13CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242455-B1 INHIBITING A MATRIX METALLOPROTEASE ASSOCIATED DISEASE ROCHE DIAGNOSTICS GMBH (DE) 2001-06-05 US claimed
US-6242455-B1 INHIBITING A MATRIX METALLOPROTEASE ASSOCIATED DISEASE ROCHE DIAGNOSTICS GMBH (DE) 2001-06-05 US disclosed
EP-0991626-A2 PYRIMIDIN-2,4,6-TRION DERIVATIVES, METHOD FOR PRODUCING THE SAME AND MEDICINAL PRODUCTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 2000-04-12 EP disclosed
WO-1998058915-A2 PYRIMIDIN-2,4,6-TRION DERIVATIVES AND THEIR USE AS METALLOPROTEASE-INHIBITORS ROCHE DIAGNOSTICS GMBH (DE) 1998-12-30 WO disclosed