SCHEMBL20113849

SCHEMBL20113849

COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3cccc(C(C)(C)CCOc4cccc(-c5ccc(=O)n(C(C)C(=O)Nc6ccc(C(C)(C)C)cc6)n5)c4)c3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT1 P42224 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 2/20 0.42
FPR1 P21462 6/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
FPR2 P25090 3/20 0.39
FYN P06241 1/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL20113828 0.91 MAPT (0.39) MAPTTP53LMNANPC1MAPK1
SCHEMBL20113785 0.88 TP53 (0.56) MAPTTP53LMNANPC1MAPK1
SCHEMBL20113783 0.88 MAPT (0.54) MAPTTP53LMNANPC1MAPK1
SCHEMBL20113830 0.85 MAPT (0.49) MAPTTP53LMNAHTTSMN1; SMN2
SCHEMBL20114214 0.82 MAPT (0.54) MAPTTP53LMNAHTTSMN1; SMN2
SCHEMBL20114212 0.81 MAPT (0.61) MAPTTP53LMNAKMT2APOLB
SCHEMBL20113831 0.81 TP53 (0.56) MAPTTP53LMNAKMT2APOLB
SCHEMBL20113789 0.81 TP53 (0.64) MAPTTP53LMNAKMT2APOLB
SCHEMBL20113782 0.78 TP53 (0.58) MAPTTP53LMNAMAPK1KMT2A
SCHEMBL20113798 0.78 MAPT (0.52) MAPTTP53LMNAHTTSMN1; SMN2

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