SCHEMBL6303012

SCHEMBL6303012

CC1Oc2ccc(CN(Cc3ccc(C[N+](C)(C(=O)OC(C)(C)C)c4ccc5c(c4)N=C(N)C(C)O5)cc3)C(=O)OC(C)(C)C)cc2N=C1N

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
NCOR2 Q9Y618 1/20 0.31

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
SCHEMBL6310000 0.94 HDAC3 (0.32) HDAC3HDAC1HDAC2NCOR2
SCHEMBL6302634 0.91 PARP1 (0.33)
SCHEMBL6302932 0.86 PARP1 (0.34)
SCHEMBL6302740 0.83 HDAC3 (0.43) HDAC3HDAC1HDAC2NCOR2
SCHEMBL7979345 0.82 GAA (0.34) HDAC3HDAC1HDAC2NCOR2
SCHEMBL6303033 0.80 L3MBTL1 (0.37) HDAC3HDAC1HDAC2NCOR2
SCHEMBL6304845 0.79 PARP1 (0.39) HDAC3HDAC1HDAC2NCOR2
SCHEMBL6310829 0.79 RIPK1 (0.36) HDAC3HDAC1HDAC2NCOR2
SCHEMBL6309334 0.79 HDAC3 (0.31) HDAC3HDAC1HDAC2NCOR2
SCHEMBL6302989 0.78 HDAC3 (0.35) HDAC3HDAC1HDAC2NCOR2

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
US-6841550-B1 Benzoxazine and benzothiazine derivatives and their use in medicines SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-11 US disclosed