SCHEMBL8093706

SCHEMBL8093706

C=C(Nc1ccccc1O)c1ccc(CNC(=O)O[C@@H](C)c2ccc(OCC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL13110796 0.90 HDAC1 (0.50) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL8089567 0.81 KMT2A (0.50) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL13110747 0.80 HDAC1 (0.63) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13110805 0.79 HDAC1 (0.52) EPHX2NR1H4HDAC1HDAC3HDAC4
SCHEMBL8088524 0.78 HDAC1 (0.44) RAB9AKMT2AMEN1HDAC1HDAC3
SCHEMBL8091640 0.73 MEN1 (0.46) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL8094983 0.72 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13110792 0.71 HDAC1 (0.50) NPC1RAB9AKMT2AMEN1HDAC1
SCHEMBL8091517 0.70 RAB9A (0.52) NPC1RAB9AKMT2AMEN1HDAC1
SCHEMBL8084812 0.70 KDM4E (0.48) HDAC1HDAC3HDAC2LMNAKDM4E

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