SCHEMBL1664502

SCHEMBL1664502

O=C(c1ccc(NC(=O)c2cc[nH]n2)cc1)c1ccc(Nc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAPT P10636 11/20 0.54
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
TP53 P04637 3/20 0.53
PKM P14618 2/20 0.53
ATM Q13315 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 3/20 0.52
MITF O75030 1/20 0.52
LMNA P02545 2/20 0.51
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 1/20 0.50
ROCK1 Q13464 1/20 0.48
DGAT1 O75907 2/20 0.48
KDM1A O60341 1/20 0.47

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
SCHEMBL1664504 0.94 HDAC8 (0.61) HDAC8HDAC6MAPTRAB9ANPC1
SCHEMBL1663944 0.82 MAPT (0.46) HDAC8HDAC6MAPTRAB9ANPC1
SCHEMBL1663802 0.81 HDAC8 (0.58) HDAC8HDAC6MAPTRAB9ANPC1
SCHEMBL1663942 0.81 RAB9A (0.44) MAPTRAB9ANPC1TP53PKM
SCHEMBL1664941 0.80 NPC1 (0.67) HDAC8HDAC6MAPTRAB9ANPC1
SCHEMBL8770431 0.80 HDAC8 (0.81) HDAC8HDAC6MAPTRAB9ANPC1
SCHEMBL1663783 0.80 HDAC8 (0.81) HDAC8HDAC6MAPTRAB9ANPC1
SCHEMBL1664814 0.78 HDAC8 (0.60) HDAC8HDAC6MAPTRAB9ANPC1
SCHEMBL6126073 0.78 MAPT (0.60) HDAC8HDAC6MAPTRAB9ANPC1
SCHEMBL1663807 0.76 HDAC8 (0.64) HDAC8HDAC6MAPTRAB9ANPC1

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-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed