SCHEMBL4010352

SCHEMBL4010352

O=C(Nc1ncc(CCc2ccccc2)s1)c1coc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ABL1 P00519 2/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 2/20 0.46
CCNE1 P24864 2/20 0.46
CDK2 P24941 2/20 0.46
CDK5 Q00535 2/20 0.46
MAOB P27338 2/20 0.44

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
SCHEMBL4011924 0.83 LMNA (0.53) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL4017950 0.83 RAB9A (0.48) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL13768201 0.83 RAB9A (0.52) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL13768812 0.82 LMNA (0.52) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL4015480 0.82 ABL1 (0.60) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL4163968 0.82 NPC1 (0.51) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL4010547 0.81 RAB9A (0.48) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL13768428 0.81 NPC1 (0.50) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL4013216 0.81 LMNA (0.53) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL4012432 0.80 LMNA (0.52) RAB9ANPC1LMNAMEN1KMT2A

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