SCHEMBL20828420

SCHEMBL20828420

CN(C)Cc1ccc(C(=O)Nc2ccc(-c3nnc(COc4cccc(F)c4)n3C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 9/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ SLC2A1 P11166 2/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL20828341 0.92 DGAT1 (0.48) DGAT1MEN1KMT2ASLC2A1HDAC6
SCHEMBL20828417 0.88 ROCK2 (0.46) DGAT1MEN1KMT2ARXFP1SLC2A1
SCHEMBL20828418 0.87 DGAT1 (0.44) DGAT1MEN1KMT2ASLC2A1ROCK2
SCHEMBL20828421 0.84 SCD (0.43) DGAT1MEN1KMT2ALMNASLC2A1
SCHEMBL20828481 0.81 FFAR1 (0.45) DGAT1ROCK2RAB9A
SCHEMBL20828451 0.81 BRAF (0.44) SLC2A1DYRK1AROCK2RAB9A
SCHEMBL20820817 0.80 DGAT1 (0.50) DGAT1SLC2A1HDAC6DYRK1AROCK2
SCHEMBL20828340 0.80 BRAF (0.46) DGAT1ROCK2
SCHEMBL20828403 0.79 DGAT1 (0.41) DGAT1LMNAROCK2CYP3A4CYP2C19
SCHEMBL20828342 0.78 DGAT1 (0.58) DGAT1MEN1KMT2ASLC2A1HDAC6

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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