SCHEMBL14679447

SCHEMBL14679447

Cc1cccc(CC(=O)NCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
ATM Q13315 1/20 0.50
GLS O94925 3/20 0.47
IDO1 P14902 1/20 0.45
MAPK8 P45983 1/20 0.45
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NQO2 P16083 1/20 0.44
KCNQ2 O43526 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL14679372 0.95 MAPT (0.56) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL14679129 0.95 MAPT (0.53) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL8399573 0.86 GPR119 (0.53) GLSIDO1MAPK8NQO2ANO1
SCHEMBL16787407 0.85 POLB (0.62) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL22452352 0.84 POLB (0.53) POLBALDH1A1MAPTATMGLS
SCHEMBL27099066 0.84 ALDH1A1 (0.48) POLBALDH1A1NPC1GLSMAPK8
SCHEMBL14679418 0.83 HPGD (0.57) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL1295524 0.83 POLB (0.49) POLBALDH1A1KMT2ANPC1MAPT
SCHEMBL16155837 0.83 MAPT (0.59) POLBMEN1KMT2ANPC1MAPT
SCHEMBL8279661 0.82 POLB (0.53) POLBALDH1A1MAPTATMGLS

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
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed