SCHEMBL20113830

SCHEMBL20113830

COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3cccc(OCCOc4cccc(-c5ccc(=O)n(C(C)C(=O)Nc6cccc(C(F)(F)F)c6)n5)c4)c3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
POLB P06746 4/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
FPR1 P21462 2/20 0.43
FYN P06241 2/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
EPHX2 P34913 1/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
IDH2 P48735 1/20 0.42

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
SCHEMBL20114214 0.94 MAPT (0.54) MAPTPOLBLMNATP53MEN1
SCHEMBL20113798 0.88 MAPT (0.52) MAPTPOLBLMNATP53MEN1
SCHEMBL20114212 0.87 MAPT (0.61) MAPTPOLBLMNATP53MEN1
SCHEMBL20113831 0.86 TP53 (0.56) MAPTPOLBLMNATP53MEN1
SCHEMBL20113783 0.86 MAPT (0.54) MAPTPOLBLMNATP53MEN1
SCHEMBL20120156 0.85 MAPT (0.49) MAPTPOLBLMNATP53MEN1
SCHEMBL20113849 0.85 MAPT (0.47) MAPTPOLBLMNATP53MEN1
SCHEMBL20120063 0.83 MAPT (0.51) MAPTPOLBLMNATP53MEN1
SCHEMBL20120158 0.83 KDR (0.46) MAPTPOLBLMNATP53MEN1
SCHEMBL20113801 0.83 MAPT (0.55) MAPTPOLBLMNATP53MEN1

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-2018081377-A1 N-PHENYL-2-(3-PHENYL-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)ACETAMIDE DERIVATIVES FOR TREATING CYSTIC FIBROSIS PROTEOSTASIS THERAPEUTICS, INC. (US) 2018-05-03 WO disclosed