SCHEMBL7302440

SCHEMBL7302440

CCC[C@H](NCc1ccc(Br)nc1)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.54
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
TAS1R3 Q7RTX0 4/20 0.36
TAS1R1 Q7RTX1 4/20 0.36
FPR2 P25090 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
KMT2A Q03164 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
SCHEMBL7302451 1.00 SIRT2 (0.54) SIRT2MMP2MMP9MMP8MMP13
SCHEMBL21125254 0.79 SIRT2 (0.48) SIRT2MMP2MMP9MMP8MMP13
SCHEMBL5176907 0.77 LMNA (0.54) TAS1R3TAS1R1L3MBTL1KMT2A
SCHEMBL28168690 0.75 MEN1 (0.48) KMT2A
SCHEMBL7308066 0.74 SIRT2 (0.42) SIRT2MMP2MMP9MMP8MMP13
SCHEMBL7308075 0.74 SIRT2 (0.42) SIRT2MMP2MMP9MMP8MMP13
SCHEMBL22775074 0.74 HDAC1 (0.46) SIRT2L3MBTL1HDAC1HDAC6
SCHEMBL29604518 0.74 HDAC1 (0.46) SIRT2L3MBTL1HDAC1HDAC6
SCHEMBL13550944 0.72 SIRT2 (0.44) SIRT2MMP2MMP9MMP8MMP13
SCHEMBL5737786 0.71 SIRT2 (0.43) SIRT2MMP2MMP9MMP8MMP13

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-5594010-A TREATMENT OF HYPERTENSION AND ATHERIOSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed
EP-0630896-A1 Substituted mono- and bipyridylmethyl derivatives as angiotensin II antagonist BAYER AG (DE) 1994-12-28 EP disclosed