SCHEMBL14679372

SCHEMBL14679372

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
ATM Q13315 1/20 0.56
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.49
GLS O94925 3/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL14679129 0.97 MAPT (0.53) MAPTATMPOLBCYP3A4GLS
SCHEMBL14679447 0.95 POLB (0.53) MAPTATMPOLBCYP3A4GLS
SCHEMBL16155837 0.86 MAPT (0.59) MAPTATMPOLBCYP3A4MEN1
SCHEMBL14679377 0.84 HPGD (0.62) MAPTCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL16787407 0.83 POLB (0.62) MAPTATMPOLBMEN1ALDH1A1
SCHEMBL27099066 0.82 ALDH1A1 (0.48) POLBGLSALDH1A1NPC1TDP1
SCHEMBL9797776 0.81 DRD2 (0.52) CYP3A4MEN1KMT2ATDP1CA1
SCHEMBL14679451 0.81 NPC1 (0.54) ATMGLSMEN1ALDH1A1KMT2A
SCHEMBL8399573 0.81 GPR119 (0.53) GLS
SCHEMBL1295524 0.81 POLB (0.49) MAPTATMPOLBGLSALDH1A1

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