SCHEMBL4556792

SCHEMBL4556792

O=C(NO)c1cnc(N2CC3C[C@H]2CN3C(=O)OCc2cccnc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.53
HDAC6 Q9UBN7 8/20 0.46
HDAC2 Q92769 7/20 0.46
HDAC3 O15379 6/20 0.46
HDAC8 Q9BY41 5/20 0.45
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
AOC3 Q16853 1/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL1367752 1.00 HDAC1 (0.53) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL1367756 1.00 HDAC1 (0.53) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL2144014 0.91 HDAC1 (0.60) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL5062540 0.91 HDAC1 (0.60) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL1365642 0.86 HDAC1 (0.49) HDAC1CYP17A1CYP19A1GPR119AOC3
SCHEMBL1365645 0.86 HDAC1 (0.49) HDAC1CYP17A1CYP19A1GPR119AOC3
SCHEMBL16302081 0.85 HDAC1 (0.48) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL1367413 0.79 HDAC1 (0.41) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL1367410 0.79 HDAC1 (0.41) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL1367411 0.79 HDAC1 (0.41) HDAC1HDAC6HDAC2HDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009137503-A1 HDAC INHIBITORS AND USES THEREOF ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO claimed
EP-2691099-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION Envivo Pharmaceuticals, Inc. (US) 2014-02-05 EP disclosed
WO-2012135097-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION ENVIVO PHARMACEUTICALS, INC. (US) 2012-10-04 WO disclosed
WO-2009137503-A1 HDAC INHIBITORS AND USES THEREOF ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed