SCHEMBL4709150

SCHEMBL4709150

CC(CNCc1ccncc1NC(=O)O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.40
AOC1 P19801 6/20 0.39
AOC3 Q16853 6/20 0.39
GAA P10253 1/20 0.38
KDM6B O15054 1/20 0.38
PTGES O14684 4/20 0.36
PTGS2 P35354 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NTRK1 P04629 1/20 0.35
PTGS1 P23219 1/20 0.35
EPHX1 P07099 1/20 0.34
MAPT P10636 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
SCHEMBL4710745 0.91 GAA (0.38) KDM4CGAAKDM6BPTGESPTGS2
SCHEMBL4705836 0.84 KMT2A (0.50)
SCHEMBL4708771 0.79 KDM4C (0.40) KDM4CGAASMN1; SMN2NTRK1MAPT
SCHEMBL4190519 0.78 KDM4C (0.45) KDM4CAOC1AOC3GAAKDM6B
SCHEMBL4708434 0.78 MME (0.40) GAAPTGS2NTRK1
SCHEMBL4707118 0.78 KDM4E (0.40) GAAPTGS2NTRK1
SCHEMBL4708837 0.78 KMT2A (0.44) MAPT
SCHEMBL4708554 0.77 L3MBTL1 (0.42) GAASMN1; SMN2
SCHEMBL4708749 0.76 KMT2A (0.44) MAPT
SCHEMBL4706370 0.73 CXCR2 (0.39)

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-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed