SCHEMBL15764656

SCHEMBL15764656

O=C(Nc1ccc2[nH]ncc2c1)c1ccccc1F

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.81
RAB9A P51151 8/20 0.81
HPGD P15428 1/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
JAK2 O60674 4/20 0.73
JAK1 P23458 3/20 0.73
MAOB P27338 2/20 0.67
ROCK2 O75116 4/20 0.65
ROCK1 Q13464 4/20 0.65
DYRK3 O43781 1/20 0.65
MAP4K4 O95819 1/20 0.65
RPS6KB1 P23443 1/20 0.65
CLK2 P49760 1/20 0.65
CSNK2A1 P68400 1/20 0.65
DYRK1A Q13627 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
MKNK2 Q9HBH9 1/20 0.65
POLB P06746 1/20 0.61
TMIGD3 P0DMS9 1/20 0.60
ADORA1 P30542 1/20 0.60

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
SCHEMBL6814633 0.93 RAB9A (0.71) NPC1RAB9AHPGDSMN1; SMN2JAK2
SCHEMBL6814643 0.87 NPC1 (0.64) NPC1RAB9AHPGDSMN1; SMN2JAK2
SCHEMBL7261149 0.87 NPC1 (0.68) NPC1RAB9AHPGDSMN1; SMN2JAK2
SCHEMBL25131975 0.86 NPC1 (0.75) NPC1RAB9AHPGDSMN1; SMN2JAK2
SCHEMBL15764662 0.85 NPC1 (1.00) NPC1RAB9AHPGDSMN1; SMN2JAK2
SCHEMBL15764657 0.85 JAK2 (1.00) NPC1RAB9AHPGDJAK2JAK1
SCHEMBL16888856 0.84 NPC1 (0.64) NPC1RAB9AHPGDSMN1; SMN2JAK2
SCHEMBL31070240 0.83 NPC1 (0.67) NPC1RAB9AHPGDSMN1; SMN2JAK2
SCHEMBL15764689 0.82 NPC1 (0.70) NPC1RAB9AHPGDSMN1; SMN2JAK2
SCHEMBL15764666 0.81 NPC1 (0.81) NPC1RAB9ASMN1; SMN2JAK2JAK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951316-B2 Enhancers of induced pluripotent stem cell reprogramming CITY OF HOPE (US) 2018-04-24 US disclosed
US-20150191701-A1 ENHANCERS OF INDUCED PLURIPOTENT STEM CELL REPROGRAMMING CITY OF HOPE 2015-07-09 US disclosed
US-8962322-B2 Enhancers of induced pluripotent stem cell reprogramming CITY OF HOPE 2015-02-24 US disclosed
US-20140154805-A1 ENHANCERS OF INDUCED PLURIPOTENT STEM CELL REPROGRAMMING CITY OF HOPE (US) 2014-06-05 US disclosed