SCHEMBL14376802

SCHEMBL14376802

CNC(=O)c1ccc(Cn2cnc3cc(OC)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.53
HDAC1 Q13547 5/20 0.53
MMP13 P45452 3/20 0.53
PPARG P37231 2/20 0.51
EPHX2 P34913 1/20 0.51
HDAC2 Q92769 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC3 O15379 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
QPCT Q16769 1/20 0.49
QPCTL Q9NXS2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGDS O60760 1/20 0.49
PLK1 P53350 1/20 0.49

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
SCHEMBL14376815 0.91 HDAC6 (0.65) HDAC6HDAC1MMP13HDAC2HDAC8
SCHEMBL27442099 0.81 PPARG (0.53) HDAC6HDAC1MMP13PPARGEPHX2
SCHEMBL13508672 0.80 KCNH2 (0.62) PPARGQPCTQPCTLALDH1A1SMN1; SMN2
SCHEMBL27441644 0.80 QPCT (0.54) MMP13QPCTQPCTLALDH1A1SMN1; SMN2
SCHEMBL22533916 0.80 PPARG (0.52) HDAC6HDAC1PPARGEPHX2
SCHEMBL22533972 0.80 PPARG (0.52) HDAC6HDAC1PPARGEPHX2
SCHEMBL6047768 0.79 CYP11B1 (0.60) QPCTQPCTLALDH1A1SMN1; SMN2KDM4E
SCHEMBL22533807 0.79 QPCT (0.53) PPARGEPHX2QPCTQPCTLALDH1A1
SCHEMBL1180302 0.79 EPHX2 (0.54) PPARGEPHX2QPCTQPCTLALDH1A1
SCHEMBL27442450 0.79 PPARG (0.52) HDAC6HDAC1PPARGEPHX2

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-2012178208-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE ISOFORM 6 AND METHODS THEREOF THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOGY (US) 2012-12-27 WO disclosed