SCHEMBL4017950

SCHEMBL4017950

O=C(Nc1ncc(Cc2cccnc2)s1)c1coc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
KMT2A Q03164 8/20 0.48
NPC1 O15118 7/20 0.48
MEN1 O00255 7/20 0.48
LMNA P02545 6/20 0.48
ABL1 P00519 6/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 3/20 0.48
NFKB1 P19838 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 5/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
HTR2C P28335 1/20 0.43

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
SCHEMBL13768201 0.85 RAB9A (0.52) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL4015480 0.84 ABL1 (0.60) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL4163968 0.84 NPC1 (0.51) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL4010547 0.84 RAB9A (0.48) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL4011924 0.84 LMNA (0.53) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL13768428 0.84 NPC1 (0.50) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL4010434 0.83 RAB9A (0.45) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL4011250 0.83 RAB9A (0.45) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL4010352 0.83 FDPS (0.51) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL4012432 0.83 LMNA (0.52) RAB9AKMT2ANPC1MEN1LMNA

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
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed