SCHEMBL14602302

SCHEMBL14602302

Cc1cc(CNC(=O)c2cc(C(=O)NCC(=O)NCc3ccncc3)ncn2)ccc1F

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 8/20 0.75
▸ MMP10 P09238 2/20 0.60
▸ MMP8 P22894 2/20 0.60
▸ MMP9 P14780 1/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ HCRTR1 O43613 1/20 0.44
▸ HCRTR2 O43614 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGD P15428 1/20 0.41

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
SCHEMBL5615854 0.94 MMP13 (0.86) MMP13MMP10MMP8MMP9SMN1; SMN2
SCHEMBL14602301 0.91 MMP13 (0.77) MMP13MMP10MMP8MMP9SMN1; SMN2
SCHEMBL5616139 0.89 MMP13 (0.78) MMP13MMP10MMP8MMP9SMN1; SMN2
SCHEMBL14602298 0.89 MMP13 (0.71) MMP13MMP10MMP8MMP9SMN1; SMN2
SCHEMBL14602303 0.88 MMP13 (0.69) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL29838134 0.87 MMP13 (1.00) MMP13MMP10MMP8MMP9SMN1; SMN2
SCHEMBL8358823 0.87 MMP13 (1.00) MMP13MMP10MMP8MMP9SMN1; SMN2
SCHEMBL14602299 0.86 MMP13 (0.72) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL8357428 0.84 MMP13 (0.90) MMP13MMP10MMP8MMP9SMN1; SMN2
SCHEMBL8360162 0.83 MMP13 (0.88) MMP13MMP10MMP8MMP9SMN1; SMN2

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
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
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