SCHEMBL1012363

SCHEMBL1012363

O=C(NO)c1cnc(N2CC3=CN(Cc4ccc(Cl)cc4)CC3C2)nc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 18/20 0.61
HDAC1 Q13547 18/20 0.61
HDAC2 Q92769 18/20 0.61
HDAC6 Q9UBN7 18/20 0.61
HDAC4 P56524 16/20 0.61
HDAC7 Q8WUI4 16/20 0.61
HDAC10 Q969S8 16/20 0.61
HDAC11 Q96DB2 16/20 0.61
HDAC8 Q9BY41 16/20 0.61
HDAC9 Q9UKV0 16/20 0.61
HDAC5 Q9UQL6 16/20 0.61
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 1/20 0.57
KCNH2 Q12809 1/20 0.45
KDM1A O60341 2/20 0.43

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
SCHEMBL1011769 0.88 HDAC3 (0.45) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1011567 0.76 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1011646 0.73 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1009723 0.72 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL8253970 0.71 HDAC3 (0.74) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL8252364 0.68 HDAC3 (0.83) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL16317783 0.67 HDAC1 (0.53) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL11993890 0.66 HDAC1 (0.55) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL16302032 0.66 HDAC1 (0.55) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL12460629 0.66 HDAC1 (0.55) HDAC3HDAC1HDAC2HDAC6HDAC4

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
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP claimed