SCHEMBL8097600

SCHEMBL8097600

C=C(Nc1ccccc1O)c1ccc([C@@H](C)N(CCN)C(=O)O[C@@H](C)c2cccnc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.38
ROCK1 Q13464 1/20 0.38
GAA P10253 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CYP17A1 P05093 2/20 0.34
CYP19A1 P11511 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13110919 0.92 HDAC1 (0.43) ALDH1A1KMT2AMAPTROCK1GAA
SCHEMBL13110928 0.92 HDAC1 (0.43) ALDH1A1KMT2AMAPTROCK1GAA
SCHEMBL13111110 0.88 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTGAAHDAC3
SCHEMBL8093744 0.88 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTGAAHDAC3
SCHEMBL8087602 0.86 RAB9A (0.40) KMT2AMAPTGAAMEN1
SCHEMBL13110931 0.79 MEN1 (0.41) ALDH1A1KMT2AMAPTROCK1GAA
SCHEMBL8086107 0.79 ACACB (0.39) ALDH1A1KMT2AGAAHDAC3HDAC4
SCHEMBL13110920 0.78 HDAC1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13111118 0.78 MEN1 (0.41) ALDH1A1KMT2AMAPTROCK1GAA
SCHEMBL13110894 0.77 TP53 (0.52) KMT2AMAPTHDAC3HDAC1HDAC2

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-2009015237-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed