SCHEMBL4010434

SCHEMBL4010434

NC(=O)c1ccc(Cc2cnc(NC(=O)c3coc4ccccc34)s2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.45
NPC1 O15118 8/20 0.45
LMNA P02545 6/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KDM4E B2RXH2 5/20 0.45
NFKB1 P19838 4/20 0.45
NFKB2 Q00653 4/20 0.45
RELA Q04206 4/20 0.45
GAA P10253 1/20 0.45
ABL1 P00519 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 3/20 0.42
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL4010547 0.91 RAB9A (0.48) RAB9ANPC1LMNATP53MEN1
SCHEMBL13768412 0.88 RAB9A (0.49) RAB9ANPC1LMNATP53MEN1
SCHEMBL13768203 0.88 NPC1 (0.46) RAB9ANPC1LMNATP53MEN1
SCHEMBL4163968 0.86 NPC1 (0.51) RAB9ANPC1LMNATP53MEN1
SCHEMBL13768201 0.85 RAB9A (0.52) RAB9ANPC1LMNATP53MEN1
SCHEMBL4011250 0.85 RAB9A (0.45) RAB9ANPC1LMNATP53MEN1
SCHEMBL4016206 0.85 MEN1 (0.49) RAB9ANPC1LMNATP53MEN1
SCHEMBL4015480 0.84 ABL1 (0.60) RAB9ANPC1LMNATP53MEN1
SCHEMBL4006384 0.84 LMNA (0.45) RAB9ANPC1LMNATP53MEN1
SCHEMBL4011924 0.83 LMNA (0.53) RAB9ANPC1LMNATP53MEN1

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 1 patent. 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