SCHEMBL6533162

SCHEMBL6533162

CC(Cc1nc(-c2ccc(CN(C)C)n2C)no1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.36
HTT P42858 3/20 0.36
RXRA P19793 1/20 0.36
NR4A2 P43354 1/20 0.36
ALDH1A1 P00352 6/20 0.35
NPSR1 Q6W5P4 4/20 0.35
MAPK1 P28482 3/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL6326515 0.82 TSHR (0.48) TSHRHTTALDH1A1NPSR1LMNA
SCHEMBL6533164 0.77 LMNA (0.41) TSHRALDH1A1LMNAMAPTGAA
SCHEMBL6533604 0.68 RXRA (0.35) TSHRRXRANR4A2ALDH1A1MAPK1
SCHEMBL4548475 0.66 HCAR2 (0.64) HCAR2
SCHEMBL6472555 0.66 ACACB (0.61) TSHRNPSR1LMNAKMT2ASMN1; SMN2
SCHEMBL10312550 0.66 HCAR2 (0.51) TSHRRXRANR4A2ALDH1A1NPSR1
SCHEMBL11625598 0.62 NOTUM (0.55) TSHRHTTALDH1A1NPSR1MAPK1
SCHEMBL6334783 0.62 RXRA (0.40) HTTRXRANR4A2NPSR1LMNA
Potassium Ion SCHEMBL11628009 0.61 NOTUM (0.54) TSHRHTTALDH1A1NPSR1MAPK1
Hydrochloric Acid SCHEMBL11626256 0.61 TSHR (0.49) TSHRHTTALDH1A1NPSR1MAPK1

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