SCHEMBL4969435

SCHEMBL4969435

Nc1ncc(-c2c[nH]c(CCCCNC(=O)O)n2)cn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.32
PIK3CA P42336 2/20 0.32
MAPK1 P28482 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
CPB2 Q96IY4 1/20 0.31
AKR1B1 P15121 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
ASAH1 Q13510 1/20 0.30

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
SCHEMBL2348002 0.81 HDAC3 (0.43) HRH2
SCHEMBL453941 0.76
SCHEMBL4699279 0.74 ALPL (0.38) PIK3CAMAPK1ROCK2
SCHEMBL14736459 0.72 CYP3A4 (0.43) MAPK1
SCHEMBL2338147 0.70 LTA4H (0.42) MAPK1ROCK2
SCHEMBL14736755 0.70 MAPK1 (0.44) MAPK1
SCHEMBL2340396 0.69 MEN1 (0.41) MAPK1
SCHEMBL2347577 0.69 LMNA (0.41) MAPK1
SCHEMBL4033995 0.69 TP53 (0.42)
SCHEMBL2342371 0.68 LMNA (0.40) MAPK1

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-1960413-A2 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-08-27 EP disclosed
WO-2007060618-A2 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2007-05-31 WO disclosed