SCHEMBL7711328

SCHEMBL7711328

CC1=C(N)Nc2cc(CN(Cc3ccc(N(C)C)cc3)C(=O)OC(C)(C)C)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
TP53 P04637 4/20 0.33
MAPT P10636 7/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
THRB P10828 2/20 0.33
GFER P55789 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7708189 0.91 HDAC3 (0.37) HDAC3HDAC1HDAC2NCOR2TP53
SCHEMBL7711366 0.91 HDAC1 (0.37) HDAC3HDAC1HDAC2NCOR2
SCHEMBL7704910 0.90 HDAC1 (0.45) HDAC3HDAC1HDAC2NCOR2KMT2A
SCHEMBL7704965 0.89 HDAC3 (0.36) HDAC3HDAC1HDAC2NCOR2TP53
SCHEMBL7708353 0.89 GRM2 (0.37) HDAC3HDAC1HDAC2NCOR2TP53
SCHEMBL7704946 0.89 ALDH1A1 (0.38) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL7710748 0.87 CA2 (0.35) HDAC3HDAC1HDAC2NCOR2KMT2A
SCHEMBL7713435 0.87 HDAC1 (0.34) HDAC3HDAC1HDAC2NCOR2KMT2A
SCHEMBL7711458 0.86 HDAC3 (0.33) HDAC3HDAC1HDAC2NCOR2
SCHEMBL7708350 0.86 NR1D1 (0.40) HDAC3HDAC1HDAC2NCOR2MAPT

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-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed