SCHEMBL6466700

SCHEMBL6466700

COc1ccc(-c2noc(OC(C)=O)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.57
LMNA P02545 3/20 0.57
TSHR P16473 2/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
PPARD Q03181 1/20 0.55
PPARA Q07869 1/20 0.55
ATM Q13315 1/20 0.54
TPH1 P17752 2/20 0.54
NPC1 O15118 7/20 0.52
MAPT P10636 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
NPSR1 Q6W5P4 1/20 0.52
S1PR1 P21453 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
TP53 P04637 2/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL6328328 0.82 LMNA (0.55) RAB9ALMNATSHRPPARDPPARA
SCHEMBL28147201 0.79 RAB9A (0.41) RAB9ALMNATSHRNFKB1NFKB2
SCHEMBL8892261 0.76 LMNA (0.64) RAB9ALMNATSHRATMNPC1
SCHEMBL25002919 0.76 LMNA (0.60) RAB9ALMNAPPARDPPARAATM
SCHEMBL17513947 0.76 NPC1 (0.57) RAB9ALMNAPPARDPPARAATM
SCHEMBL1430356 0.73 NR1H4 (0.73) RAB9ALMNAATMTPH1NPC1
SCHEMBL12490994 0.73 RAB9A (0.71) RAB9ALMNATSHRNFKB1NFKB2
SCHEMBL5661097 0.73 RAB9A (0.68) RAB9ALMNATSHRNFKB1NFKB2
SCHEMBL6325229 0.72 LMNA (0.76) RAB9ALMNATSHRATMNPC1
SCHEMBL25003157 0.72 GAA (0.69) RAB9ALMNAPPARDPPARAATM

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