SCHEMBL4155044

SCHEMBL4155044

O=C(Nc1ncc(Cc2ccc3occc3c2)s1)c1coc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
NPC1 O15118 7/20 0.46
LMNA P02545 6/20 0.46
KDM4E B2RXH2 6/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
ABL1 P00519 7/20 0.43
MAPK1 P28482 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL13768209 0.85 SCD (0.51) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL13768201 0.84 RAB9A (0.52) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL4015623 0.84 ATG4B (0.45) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL4163968 0.83 NPC1 (0.51) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL4015480 0.83 ABL1 (0.60) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL13768618 0.83 RAB9A (0.45) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL4009468 0.83 SCD (0.53) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL4011924 0.82 LMNA (0.53) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL13768428 0.82 NPC1 (0.50) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL4009956 0.82 SCD (0.47) RAB9AMEN1KMT2ANPC1LMNA

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