SCHEMBL6598596

SCHEMBL6598596

O=C(OO)c1ccc2c(CO)ccc(OCc3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ELANE P08246 3/20 0.40
F2 P00734 1/20 0.40
ADORA1 P30542 2/20 0.39
FOLH1 Q04609 2/20 0.39

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
SCHEMBL10333926 0.76 KDM4E (0.57) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6079644 0.75 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6598599 0.74 PTGER1 (0.47) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6593931 0.73 PTGER1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16132601 0.73 KDM4E (0.54) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6592433 0.72 PTGER1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6599193 0.72 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6642612 0.72 MAPT (0.49) MAPTL3MBTL1SMN1; SMN2ADORA1ADORA3
SCHEMBL6080222 0.72 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6079781 0.71 LMNA (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2

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-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed