SCHEMBL6532275

SCHEMBL6532275

CC(CC(=O)O)c1nc(C2CCN(C)CC2)no1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.44
CCR5 P51681 2/20 0.36
BMP1 P13497 1/20 0.35
IDH1 O75874 3/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HTR4 Q13639 1/20 0.33
POLB P06746 1/20 0.33
NR1I2 O75469 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL6532894 0.80 KDM4E (0.37) BMP1
SCHEMBL6532274 0.74 USP7 (0.44) USP7CCR5POLB
SCHEMBL6332424 0.74 USP7 (0.46) USP7CCR5POLB
SCHEMBL4713995 0.73 HCRTR1 (0.43) USP7CCR5IDH1HCRTR1HCRTR2
Oxalic Acid SCHEMBL9702943 0.71 USP7 (0.49) USP7HCRTR1HCRTR2
Oxalic Acid SCHEMBL9702934 0.71 USP7 (0.49) USP7HCRTR1HCRTR2
SCHEMBL13827635 0.70 POLB (0.40) IDH1HCRTR1HCRTR2POLB
SCHEMBL469197 0.70 POLB (0.40) IDH1HCRTR1HCRTR2POLB
SCHEMBL13246658 0.68 USP7 (0.54) USP7CCR5
SCHEMBL22930811 0.67 POLB (0.39) IDH1HCRTR1HCRTR2POLBCYP2C9

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