SCHEMBL5246552

SCHEMBL5246552

O=C(NCc1ccccc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.72
HTT P42858 2/20 0.66
KMT2A Q03164 1/20 0.66
HDAC8 Q9BY41 2/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
LOX P28300 2/20 0.65
LOXL2 Q9Y4K0 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
FFAR1 O14842 1/20 0.63
MAPK14 Q16539 5/20 0.62
MMP13 P45452 2/20 0.62
LMNA P02545 1/20 0.62
CYP3A4 P08684 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CHRM3 P20309 1/20 0.61
NPC1 O15118 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61

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
SCHEMBL8738321 0.92 MAPK14 (0.76) HPGDHTTKMT2AHDAC8HDAC2
SCHEMBL257930 0.90 HPGD (0.63) HPGDHTTKMT2AHDAC8HDAC2
SCHEMBL4035947 0.87 RAB9A (0.65) HPGDKMT2AHDAC8HDAC6MAPK14
SCHEMBL2922655 0.87 MMP13 (0.81) HPGDHTTKMT2AHDAC8HDAC2
SCHEMBL8738317 0.86 HPGD (0.97) HPGDHTTHDAC8HDAC2HDAC6
SCHEMBL5709300 0.86 HPGD (0.84) HPGDHTTHDAC6SMN1; SMN2MAPK14
SCHEMBL11900328 0.85 HDAC6 (0.87) HPGDHTTKMT2AHDAC8HDAC2
SCHEMBL177585 0.85 HTT (0.63) HPGDHTTKMT2AHDAC8HDAC2
SCHEMBL8782975 0.84 HDAC8 (0.69) KMT2AHDAC8SMN1; SMN2LMNAALDH1A1
SCHEMBL27781796 0.84 HDAC2 (0.65) HPGDHTTKMT2AHDAC8HDAC2

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