SCHEMBL7692118

SCHEMBL7692118

CCNC(=O)c1cccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)COc4ccccc4)cc3)ccnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.37
LCK P06239 1/20 0.37
MET P08581 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
AURKB Q96GD4 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 3/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR88 Q9GZN0 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
SCHEMBL7688229 0.93 MEN1 (0.35) AURKALCKKDRTEKPOLB
SCHEMBL7686590 0.92 LMNA (0.34) AURKALCKKDRTEKPOLB
SCHEMBL7687331 0.91 AURKA (0.39) AURKALCKMETKDRTEK
SCHEMBL7692452 0.91 ADRB1 (0.34) AURKALCKKDRTEKMEN1
SCHEMBL7693500 0.90 ALDH1A1 (0.35) AURKAPOLBMEN1KMT2ALMNA
SCHEMBL7687663 0.89 ALDH1A1 (0.37) POLBMEN1KMT2ALMNAALDH1A1
SCHEMBL7694610 0.89 RPS6KB1 (0.41) AURKAPOLBMEN1KMT2ALMNA
SCHEMBL7694215 0.89 POLB (0.38) POLBMEN1KMT2ALMNAALDH1A1
SCHEMBL7694156 0.86 MAOB (0.38) POLBMEN1KMT2ALMNAALDH1A1
SCHEMBL7687505 0.85 MET (0.38) AURKALCKMETKDRTEK

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-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed