SCHEMBL5246546

SCHEMBL5246546

O=C(N[CH]c1ccccc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.65
AKR1C3 P42330 1/20 0.58
NPC1 O15118 2/20 0.57
PKM P14618 1/20 0.55
CASP3 P42574 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
KAT6A Q92794 1/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
ERCC5 P28715 1/20 0.52
FEN1 P39748 1/20 0.52
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL1230760 0.80 NPC1 (0.66) HDAC8NPC1PKMKMT2AMAPT
SCHEMBL6671653 0.79 HDAC8 (1.00) HDAC8AKR1C3NPC1PKMKAT6A
SCHEMBL2830822 0.78 HDAC8 (0.73) HDAC8AKR1C3NPC1PKMMEN1
SCHEMBL7053842 0.78 HDAC8 (0.73) HDAC8AKR1C3NPC1PKMMEN1
SCHEMBL7053844 0.78 HDAC8 (0.73) HDAC8AKR1C3NPC1PKMMEN1
SCHEMBL31295303 0.78 HDAC8 (0.73) HDAC8AKR1C3NPC1PKMMEN1
SCHEMBL7152809 0.76 FFAR1 (0.75) HDAC8AKR1C3NPC1CASP3SENP7
SCHEMBL5246552 0.76 HPGD (0.72) HDAC8NPC1KMT2ACYP1A2CYP2C9
SCHEMBL9671284 0.75 AKR1C3 (0.62) HDAC8AKR1C3NPC1CASP3SENP7
SCHEMBL8248607 0.75 ALDH1A1 (0.72) HDAC8AKR1C3NPC1PKMKAT6A

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-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed