SCHEMBL4894941

SCHEMBL4894941

NC(=O)c1cccc(OCc2nc3cc(-c4ccncc4)ccc3s2)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ROCK2 O75116 8/20 0.41
SYK P43405 1/20 0.40
CSF1R P07333 2/20 0.40
CDC7 O00311 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL201932 0.85 NPC1 (0.43) NPC1RAB9APIK3CDPIK3CAPIK3CB
SCHEMBL2316778 0.84 NPC1 (0.59) NPC1RAB9AF9F10HDAC6
SCHEMBL4759096 0.78 NPC1 (0.59) NPC1RAB9AF9F10SYK
SCHEMBL2704597 0.78 NPC1 (0.48) NPC1RAB9AF9F10HDAC6
SCHEMBL202904 0.77 NPC1 (0.45) NPC1RAB9APIK3CDPIK3CAPIK3CB
SCHEMBL201165 0.77 NPC1 (0.44) NPC1RAB9AF9F10HDAC6
SCHEMBL2707226 0.76 EPHX2 (0.44) NPC1RAB9AHDAC6
SCHEMBL4567016 0.75 RAB9A (0.43) NPC1RAB9AF9F10ROCK2
SCHEMBL2706609 0.75 NPC1 (0.43) NPC1RAB9AF9F10ROCK2
SCHEMBL4567017 0.74 NPC1 (0.42) NPC1RAB9AF9F10HDAC6

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
EP-1996180-A1 ANTIBACTERIAL AGENTS Prolysis Limited (GB) 2008-12-03 EP disclosed
WO-2007107758-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2007-09-27 WO disclosed