SCHEMBL5452027

SCHEMBL5452027

COc1ccc2[nH]c3c(c2c1)CCN(c1ncc(C(N)=O)cn1)C3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
BAZ2B Q9UIF8 1/20 0.52
KDR P35968 3/20 0.50
CFTR P13569 6/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
CYP2C9 P11712 1/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
RECQL P46063 1/20 0.47
PMP22 Q01453 1/20 0.47
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46

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
SCHEMBL2979518 0.88 HDAC6 (0.67) HDAC1HDAC6BAZ2BKDRCFTR
SCHEMBL8259923 0.82 HDAC1 (0.59) HDAC1HDAC6BAZ2BKDRCFTR
SCHEMBL2975835 0.80 BAZ2B (0.58) HDAC1HDAC6BAZ2BKDRCFTR
SCHEMBL2970402 0.79 BAZ2B (0.47) HDAC1HDAC6BAZ2BALOX15HSD17B10
SCHEMBL2981880 0.78 BAZ2B (0.48) HDAC1HDAC6BAZ2BCYP1A2ALOX15
SCHEMBL5372790 0.75 BAZ2B (0.67) HDAC1HDAC6BAZ2BKDRCFTR
SCHEMBL8036170 0.75 BAZ2B (0.82) HDAC1HDAC6BAZ2BKDRCFTR
SCHEMBL2969790 0.75 TRPV1 (0.50) HDAC1HDAC6CDK4CCND1
SCHEMBL2979134 0.75 HDAC6 (0.60) HDAC1HDAC6BAZ2BLMNAACHE
SCHEMBL2963929 0.74 HDAC1 (0.54) HDAC1HDAC6MAPKAPK2ACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO disclosed