SCHEMBL4262114

SCHEMBL4262114

O=C(NC1CCCCCC1)c1cccc(Nc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.63
NPC1 O15118 5/20 0.63
PKM P14618 2/20 0.63
MAPK14 Q16539 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 1/20 0.59
GFER P55789 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HTR2B P41595 1/20 0.59
CTSD P07339 1/20 0.57
BACE1 P56817 1/20 0.57
BACE2 Q9Y5Z0 1/20 0.57
ALOX15 P16050 1/20 0.56
HPGD P15428 1/20 0.55
KDM1A O60341 1/20 0.54
GRM5 P41594 1/20 0.54
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
EPHX1 P07099 1/20 0.54

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
SCHEMBL6707186 0.85 RAB9A (0.79) RAB9ANPC1PKML3MBTL1SMN1; SMN2
SCHEMBL9265040 0.85 RAB9A (0.79) RAB9ANPC1PKML3MBTL1SMN1; SMN2
SCHEMBL13105707 0.84 RAB9A (0.69) RAB9ANPC1PKML3MBTL1SMN1; SMN2
SCHEMBL19445791 0.83 RAB9A (0.72) RAB9ANPC1PKML3MBTL1SMN1; SMN2
SCHEMBL24673320 0.83 NPC1 (0.73) RAB9ANPC1PKML3MBTL1SMN1; SMN2
SCHEMBL307051 0.83 NPC1 (0.73) RAB9ANPC1PKML3MBTL1SMN1; SMN2
SCHEMBL5168314 0.83 NPC1 (0.73) RAB9ANPC1PKML3MBTL1SMN1; SMN2
SCHEMBL23594174 0.83 NPC1 (0.73) RAB9ANPC1PKML3MBTL1SMN1; SMN2
SCHEMBL8396558 0.83 NPC1 (0.73) RAB9ANPC1PKML3MBTL1SMN1; SMN2
SCHEMBL1928387 0.82 RAB9A (0.67) RAB9ANPC1PKML3MBTL1SMN1; SMN2

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-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 WO disclosed