SCHEMBL14529520

SCHEMBL14529520

C[C@@H](CO)CC[C@@H]1[C@H](C)c2cc(C(F)(F)F)ccc2N[C@@H]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 16/20 0.44
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 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
SCHEMBL17461286 1.00 KIF11 (0.44) KIF11KDM4EALDH1A1MAPTMEN1
SCHEMBL14529538 0.91 KIF11 (0.45) KIF11KDM4EALDH1A1MAPTMEN1
SCHEMBL14529836 0.91 KIF11 (0.44) KIF11
SCHEMBL12793906 0.91 KIF11 (0.44) KIF11
SCHEMBL14020002 0.90 KIF11 (0.44) KIF11KDM4EALDH1A1MAPTMEN1
SCHEMBL17461277 0.90 KIF11 (0.48) KIF11KDM4EALDH1A1MAPTMEN1
SCHEMBL14529852 0.90 KIF11 (0.45) KIF11KDM4EALDH1A1MAPTMEN1
SCHEMBL14529566 0.89 KIF11 (0.47) KIF11KDM4EALDH1A1MAPTMEN1
SCHEMBL14530269 0.88 KIF11 (0.45) KIF11KDM4EALDH1A1MAPTMEN1
SCHEMBL17461274 0.87 KIF11 (0.42) KIF11KDM4EALDH1A1MAPTMEN1

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-2007054138-A1 SUBSTITUTED TETRAHYDROQUINOLINES MERCK PATENT GMBH (DE) 2007-05-18 — — WO disclosed
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