SCHEMBL8084812

SCHEMBL8084812

C=C(Nc1ccccc1N)c1ccc(COC(=O)N[C@@H](C)c2ccc(OCC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ACACB O00763 9/20 0.47
HDAC1 Q13547 6/20 0.46
HDAC3 O15379 3/20 0.46
HDAC2 Q92769 3/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.42
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL13110975 0.91 HDAC1 (0.57) KDM4EALDH1A1HDAC1HDAC3HDAC2
SCHEMBL13111051 0.80 RAB9A (0.52) KDM4EALDH1A1ACACBHDAC1HDAC3
SCHEMBL8091517 0.80 RAB9A (0.52) KDM4EALDH1A1ACACBHDAC1HDAC3
SCHEMBL13110770 0.79 HDAC1 (0.62) HDAC1HDAC3HDAC2NCOR2
SCHEMBL13110983 0.79 HDAC1 (0.62) HDAC1HDAC3HDAC2NCOR2
SCHEMBL13110972 0.78 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2
SCHEMBL24890567 0.74 KDM1A (0.56) HDAC1HDAC3HDAC2NCOR2
SCHEMBL24890712 0.74 KDM1A (0.56) HDAC1HDAC3HDAC2NCOR2
SCHEMBL24890770 0.74 KDM1A (0.56) HDAC1HDAC3HDAC2NCOR2
SCHEMBL8348119 0.72 HDAC1 (0.70) HDAC1HDAC3HDAC2NCOR2

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