SCHEMBL4758840

SCHEMBL4758840

Cc1cc(C)n([Al](n2nc(C)cc2C)n2nc(C)cc2C)n1.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 4/20 0.41
ALDH1A1 P00352 4/20 0.40
GLA P06280 1/20 0.40
GLS O94925 1/20 0.39
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 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
Lithium Ion SCHEMBL4758839 0.93 KDM4E (0.42) KDM4EGAATSHRALDH1A1GLA
SCHEMBL3694673 0.75 KDM4E (0.41) KDM4EGAATSHRALDH1A1GLA
SCHEMBL4562991 0.69
SCHEMBL147208 0.65
SCHEMBL859902 0.63
SCHEMBL22340515 0.63
SCHEMBL22064861 0.63
SCHEMBL790617 0.63
SCHEMBL9195964 0.63
SCHEMBL4403300 0.63

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
JP-2008011934-A DEODORIZING ANTIMICROBIAL AGENT AND METHOD FOR PRODUCING THE SAME KIMURA KENKYUSHO:KK 2008-01-24 JP disclosed