SCHEMBL20828448

SCHEMBL20828448

CC(C)c1cccc(OCc2cc(-c3ccc(NC(=O)c4ccc(CN(C)C)cc4)cc3)[nH]n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KIT P10721 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ ROCK2 O75116 5/20 0.41
▸ DYRK1A Q13627 3/20 0.40
▸ AURKA O14965 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ FOXO1 Q12778 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ SLC2A1 P11166 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
SCHEMBL20828449 0.84 MEN1 (0.42) MEN1KMT2AROCK2AURKARPS6KB1
SCHEMBL20828435 0.80 KMT2A (0.42) MEN1KMT2AROCK2AURKARPS6KB1
SCHEMBL20828446 0.80 MEN1 (0.44) MEN1KMT2AROCK2DYRK1AAURKA
SCHEMBL20828442 0.77 SLC2A1 (0.43) MEN1KMT2AROCK2AURKARPS6KB1
SCHEMBL20820116 0.76 SLC2A1 (0.41) MEN1KMT2AROCK2AURKARPS6KB1
SCHEMBL20828365 0.74 DGAT1 (0.47) ROCK2SLC2A1CYP3A4
SCHEMBL20828403 0.70 DGAT1 (0.41) ROCK2KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL20828341 0.69 DGAT1 (0.48) MEN1KMT2AROCK2KDM4ESMN1; SMN2
SCHEMBL20828389 0.69 FFAR1 (0.46) MEN1KMT2AROCK2SMN1; SMN2
SCHEMBL20828420 0.68 DGAT1 (0.47) MEN1KMT2AROCK2DYRK1AKDM4E

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-2019054430-A1 AMIDE COMPOUND HAVING AROMATIC HETEROCYCLE 第一三共株式会社 2019-03-21 — — WO disclosed
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