SCHEMBL5797625

SCHEMBL5797625

CCCCOC(=O)N1CCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.63
NPC1 O15118 7/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
ALDH1A1 P00352 3/20 0.56
NOTUM Q6P988 3/20 0.55
MAPT P10636 6/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 3/20 0.55
TSHR P16473 2/20 0.54
BCHE P06276 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.50
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL29554766 0.87 NPC1 (0.71) RAB9ANPC1L3MBTL1ALDH1A1NOTUM
SCHEMBL2116912 0.87 NPC1 (0.71) RAB9ANPC1L3MBTL1ALDH1A1NOTUM
SCHEMBL9526349 0.83 NPC1 (0.66) RAB9ANPC1L3MBTL1ALDH1A1NOTUM
SCHEMBL299090 0.83 NPC1 (0.66) RAB9ANPC1L3MBTL1ALDH1A1NOTUM
SCHEMBL8014966 0.83 BCHE (0.49) RAB9ANPC1L3MBTL1ALDH1A1NOTUM
SCHEMBL27749835 0.82 LMNA (0.45) RAB9ANPC1L3MBTL1ALDH1A1NOTUM
SCHEMBL27749593 0.82 MEN1 (0.45) RAB9ANPC1L3MBTL1ALDH1A1NOTUM
SCHEMBL3662555 0.81 NPC1 (0.60) RAB9ANPC1L3MBTL1ALDH1A1NOTUM
SCHEMBL27882103 0.81 NPC1 (0.71) RAB9ANPC1L3MBTL1ALDH1A1NOTUM
SCHEMBL8434185 0.80 CNR2 (0.48) RAB9ANPC1L3MBTL1ALDH1A1NOTUM

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-2006034480-A2 SULFONAMIDE BICYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-30 WO disclosed