SCHEMBL6644100

SCHEMBL6644100

OC(=S)c1ncc(-c2ccccc2)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ATM Q13315 1/20 0.44
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NOTUM Q6P988 1/20 0.37
MMP3 P08254 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP7 Q93009 1/20 0.37
ALOX5 P09917 1/20 0.37
CHRNA7 P36544 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL2225522 0.77 SMN1; SMN2 (0.54) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL22734887 0.74 WDR5 (0.52) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL27163064 0.74 SMN1; SMN2 (0.52) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL11470343 0.73 RAB9A (0.61) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL5912184 0.73 RAB9A (0.61) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL5202742 0.72 RAB9A (0.48) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL2117282 0.70 NPC1 (1.00) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL21504745 0.70 CYP4F2 (0.61) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL1479666 0.69
SCHEMBL19060925 0.69 RAB9A (0.61) RAB9ANPC1NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465895-A2 4-OXO-4,7-DIHYDROFURO(2,3-B)PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-13 EP disclosed
WO-2003059911-A2 4-OXO-4, 7-DIHYDROFURO[2,3-b]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed