SCHEMBL7687331

SCHEMBL7687331

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
LCK P06239 1/20 0.39
MET P08581 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
AURKB Q96GD4 1/20 0.39
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36
ALDH1A1 P00352 2/20 0.33
MAPK8 P45983 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
LMNA P02545 3/20 0.32
POLB P06746 1/20 0.32
ADRB1 P08588 1/20 0.32

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
SCHEMBL7692118 0.91 AURKA (0.37) AURKALCKMETKDRTEK
SCHEMBL7688229 0.91 MEN1 (0.35) AURKALCKKDRTEKLPAR1
SCHEMBL7686590 0.90 LMNA (0.34) AURKALCKKDRTEKLPAR1
SCHEMBL7694610 0.87 RPS6KB1 (0.41) AURKALPAR1LPAR5ALDH1A1GAA
SCHEMBL7693500 0.87 ALDH1A1 (0.35) AURKALPAR1LPAR5ALDH1A1HPGD
SCHEMBL7692452 0.86 ADRB1 (0.34) AURKALCKKDRTEKMEN1
SCHEMBL7687663 0.86 ALDH1A1 (0.37) LPAR1LPAR5ALDH1A1GAAMEN1
SCHEMBL7692572 0.85 ALDH1A1 (0.46) AURKALCKMETKDRTEK
SCHEMBL7692573 0.85 ALDH1A1 (0.46) AURKALCKMETKDRTEK
SCHEMBL7694215 0.84 POLB (0.38) LPAR1LPAR5ALDH1A1GAAMEN1

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