SCHEMBL9837387

SCHEMBL9837387

CC(=O)c1cccc(C(O[SiH2]C(C)(C)C)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.45
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAOB P27338 2/20 0.40
CYP1A2 P05177 1/20 0.40
ACHE P22303 3/20 0.38
KCNK9 Q9NPC2 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
CES1 P23141 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5918967 0.87 HPGD (0.45) KIF11KMT2AMAOBMAPTPOLB
SCHEMBL9837994 0.80 MAPT (0.36) KIF11KMT2AMEN1ACHEMAPT
SCHEMBL1315596 0.79 MAPK1 (0.44) KIF11KMT2AMEN1MAPT
SCHEMBL30913780 0.76 MAPK1 (0.42) KIF11KMT2AMEN1MAOBMAPT
SCHEMBL6170678 0.76 TSHR (0.41) MAPTPOLBLMNA
SCHEMBL9837406 0.75 ALDH1A1 (0.37) MAOB
SCHEMBL6172247 0.75 PRKCA (0.38) KMT2AMEN1MAPT
SCHEMBL6170855 0.75 UNG (0.40) KMT2AMEN1MAOBMAPTCES1
SCHEMBL9836483 0.74 PTPN5 (0.36) KIF11KMT2AMEN1LMNA
SCHEMBL309330 0.72 ACHE (0.65) KIF11KMT2AMEN1ACHEKCNK9

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
EP-0219308-B1 2-SUBSTITUTED QUINOLINES MERCK FROSST CANADA INC. (CA) 1991-10-23 EP disclosed