SCHEMBL8087602

SCHEMBL8087602

C=C(Nc1ccccc1O)c1ccc([C@@H](C)N(CCN)C(=O)O[C@@H](C)c2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
UTS2R Q9UKP6 16/20 0.37
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL13110894 0.91 TP53 (0.52) RAB9AMEN1KMT2ANPC1TP53
SCHEMBL8091754 0.91 TP53 (0.52) RAB9AMEN1KMT2ANPC1TP53
SCHEMBL8097600 0.86 ALDH1A1 (0.39) MEN1KMT2AMAPTGAA
SCHEMBL13111118 0.80 MEN1 (0.41) RAB9AMEN1KMT2ANPC1TP53
SCHEMBL13110931 0.80 MEN1 (0.41) RAB9AMEN1KMT2ANPC1TP53
SCHEMBL13111110 0.77 ALDH1A1 (0.45) RAB9AKMT2ANPC1MAPTGAA
SCHEMBL8093744 0.77 ALDH1A1 (0.45) RAB9AKMT2ANPC1MAPTGAA
SCHEMBL13110919 0.77 HDAC1 (0.43) RAB9AKMT2ANPC1MAPTGAA
SCHEMBL8091640 0.77 MEN1 (0.46) RAB9AMEN1KMT2ANPC1TP53
SCHEMBL13111017 0.67 KMT2A (0.61) RAB9AMEN1KMT2ANPC1TP53

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