SCHEMBL8091640

SCHEMBL8091640

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 2/20 0.46
NPC1 O15118 1/20 0.46
GPR139 Q6DWJ6 1/20 0.39
PRCP P42785 1/20 0.36
GAA P10253 3/20 0.36
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
BCL2A1 Q16548 1/20 0.36
BAK1 Q16611 1/20 0.36
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL13110791 0.89 KMT2A (0.61) MEN1KMT2ARAB9ATP53NPC1
SCHEMBL13111017 0.89 KMT2A (0.61) MEN1KMT2ARAB9ATP53NPC1
SCHEMBL8086107 0.84 ACACB (0.39) KMT2ARAB9ANPC1GAAALDH1A1
SCHEMBL8083255 0.79 TP53 (0.63) MEN1KMT2ARAB9ATP53NPC1
SCHEMBL13110842 0.79 TP53 (0.63) MEN1KMT2ARAB9ATP53NPC1
SCHEMBL13110733 0.78 HDAC1 (0.57) MEN1KMT2ARAB9ATP53NPC1
SCHEMBL13110969 0.78 HDAC1 (0.57) MEN1KMT2ARAB9ATP53NPC1
SCHEMBL8087602 0.77 RAB9A (0.40) MEN1KMT2ARAB9ATP53NPC1
SCHEMBL13110817 0.73 HDAC1 (0.48) MEN1KMT2ARAB9ATP53NPC1
SCHEMBL13111013 0.73 HDAC1 (0.48) MEN1KMT2ARAB9ATP53NPC1

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