SCHEMBL13636

SCHEMBL13636

NCCCN(CCCN)Cc1ccc(-c2c[nH]c(N)nc2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
PARP1 P09874 2/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LCK P06239 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
AKT2 P31751 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
SCHEMBL14079 0.81 PARP1 (0.35) PARP1
SCHEMBL14850174 0.78 PDGFRB (0.30)
SCHEMBL13642 0.76 ACKR3 (0.33) PARP1
SCHEMBL17354123 0.75 HDAC1 (0.39)
SCHEMBL14176 0.75 ROCK1 (0.40) PARP1AURKB
SCHEMBL14224 0.75 HDAC1 (0.39) LCK
SCHEMBL17486524 0.75 RORC (0.32) PARP1AURKB
SCHEMBL14853161 0.74 PARP1 (0.31) PARP1
SCHEMBL13897 0.74 HDAC11 (0.34)
SCHEMBL13751 0.74 LYN (0.34) AURKBLCK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed