SCHEMBL7425111

SCHEMBL7425111

CCCC(F)OC(=O)[C@H](N)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ELANE P08246 1/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
NPC1 O15118 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
SCHEMBL7428941 0.82 NPC1 (0.41) ALDH1A1KMT2AHSD17B10MEN1HDAC1
SCHEMBL11083101 0.82 ALDH1A1 (0.48) ALDH1A1KMT2AHSD17B10MEN1TDP1
SCHEMBL5031610 0.78 MMP2 (0.44) KMT2AHSD17B10MEN1TDP1ELANE
SCHEMBL29166106 0.78 HDAC7 (0.53) ALDH1A1KMT2AHSD17B10MEN1TDP1
SCHEMBL8968525 0.76 HDAC1 (0.47) ALDH1A1TDP1ELANEHDAC1HDAC7
SCHEMBL9191639 0.76 HDAC1 (0.52) ALDH1A1TDP1HDAC1HDAC7MAPT
SCHEMBL7428845 0.75 MMP2 (0.53) MMP2MMP9
SCHEMBL8968521 0.74 HDAC1 (0.51) ALDH1A1TDP1HDAC1HDAC7MAPT
Hydrochloric Acid SCHEMBL9394212 0.74 HDAC1 (0.51) ALDH1A1TDP1ELANEHDAC1HDAC7
SCHEMBL7430629 0.73 TNF (0.54) ALDH1A1HDAC1NPSR1NPC1

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-1053226-A1 SULFONYLAMINO DERIVATIVES WHICH INHIBIT MATRIX-DEGRADING METALLOPROTEINASES Novartis AG (CH) 2000-11-22 EP disclosed
WO-1999042443-A1 SULFONYLAMINO DERIVATIVES WHICH INHIBIT MATRIX-DEGRADING METALLOPROTEINASES NOVARTIS AG (CH) 1999-08-26 WO disclosed