SCHEMBL6323802

SCHEMBL6323802

COc1cc(OC)cc(-c2noc(CCC(=O)NCCCNc3n[nH]c(=O)c4ccccc34)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.52
GAA P10253 3/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
DGAT2 Q96PD7 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6326426 0.94 KMT2A (0.54) HPGDGAAHTTMAPTKMT2A
SCHEMBL6328474 0.91 GAA (0.57) HPGDGAAHTTMAPTTSHR
SCHEMBL6328207 0.89 GAA (0.53) HPGDGAAHTTMAPTKMT2A
SCHEMBL6325282 0.89 HPGD (0.49) HPGDGAAHTTMAPTKMT2A
SCHEMBL6328427 0.88 ALDH1A1 (0.51) HPGDGAAHTTMAPTKMT2A
SCHEMBL6332583 0.88 ALDH1A1 (0.55) HPGDGAAHTTMAPTKMT2A
SCHEMBL6327904 0.88 HPGD (0.59) HPGDGAAHTTMAPTKMT2A
SCHEMBL6323563 0.88 TSHR (0.57) HPGDGAAHTTMAPTKMT2A
SCHEMBL6331242 0.88 HPGD (0.48) HPGDGAAHTTMAPTKMT2A
SCHEMBL6331331 0.88 MAPT (0.51) HPGDGAAHTTMAPTKMT2A

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 4 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
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US 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