SCHEMBL6532274

SCHEMBL6532274

CC(Cc1nc(C2CCN(C)CC2)no1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.44
POLB P06746 1/20 0.40
CCR5 P51681 2/20 0.39
LDHA P00338 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
HSD11B1 P28845 1/20 0.35
RXRA P19793 1/20 0.34
NR4A2 P43354 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34

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
SCHEMBL6532890 0.80 KDM4E (0.37)
SCHEMBL6332424 0.79 USP7 (0.46) USP7POLBCCR5LDHAAKR1C4
SCHEMBL6532275 0.74 USP7 (0.44) USP7POLBCCR5
SCHEMBL6326298 0.73 MIF (0.45) USP7POLBCCR5LDHAHSD11B1
Oxalic Acid SCHEMBL9702943 0.71 USP7 (0.49) USP7HSD11B1
Oxalic Acid SCHEMBL9702934 0.71 USP7 (0.49) USP7HSD11B1
SCHEMBL1118416 0.69 LDHA (0.45) USP7POLBCCR5LDHAHDAC3
SCHEMBL13246658 0.68 USP7 (0.54) USP7CCR5
SCHEMBL461743 0.68 POLB (0.41) POLBLDHAHSD11B1
SCHEMBL3188715 0.67 POLB (0.40) POLBLDHAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 WO disclosed