SCHEMBL2656417

SCHEMBL2656417

O=C(CCC1CCCC1)Nc1ncc(F)s1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 3/20 0.51
CA2 P00918 1/20 0.51
ALPL P05186 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX15 P16050 1/20 0.49
FFAR2 O15552 3/20 0.48
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
GCK P35557 1/20 0.46

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
SCHEMBL2657359 0.83 POLB (0.61) POLBNPC1RAB9ASMN1; SMN2GAA
SCHEMBL5836009 0.81 NPC1 (0.61) POLBNPC1RAB9ASMN1; SMN2GAA
SCHEMBL5835894 0.80 NPC1 (0.63) POLBNPC1RAB9ASMN1; SMN2GAA
SCHEMBL27481293 0.75 POLB (0.97) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2655905 0.74 POLB (1.00) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28562030 0.73 FFAR2 (0.47) NPC1RAB9ASMN1; SMN2GAAFFAR2
SCHEMBL999739 0.72 FFAR2 (0.46) NPC1RAB9ASMN1; SMN2GAAFFAR2
SCHEMBL5479988 0.71 NPC1 (0.49) POLBNPC1RAB9ASMN1; SMN2GAA
SCHEMBL6225612 0.70 NPC1 (0.76) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1948582 0.70 ALDH1A1 (0.64) POLBNPC1RAB9ASMN1; SMN2GAA

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
EP-2091947-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2009-08-26 EP claimed
WO-2008079787-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2008-07-03 WO claimed
EP-2091947-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2009-08-26 EP disclosed
WO-2008079787-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2008-07-03 WO disclosed