SCHEMBL2493080

SCHEMBL2493080

Fc1cccc(F)c1Oc1ccnc(-c2sc(Nc3ccccn3)nc2-c2ccccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN1 Q92952 2/20 0.42
KCNN2 Q9H2S1 2/20 0.42
KCNN3 Q9UGI6 2/20 0.42
MECP2 P51608 1/20 0.42
MBD2 Q9UBB5 1/20 0.42
GCK P35557 3/20 0.41
TGFBR1 P36897 6/20 0.41
CDK5 Q00535 3/20 0.39
CDK5R1 Q15078 3/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
GRM4 Q14833 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
KDR P35968 1/20 0.37
SLC2A1 P11166 1/20 0.37

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
SCHEMBL2492728 0.78 PDE10A (0.38) GCKCDK5CDK5R1NPC1RAB9A
SCHEMBL190426 0.77 KCNN1 (0.61) KCNN1KCNN2KCNN3MECP2MBD2
SCHEMBL2493333 0.75 KDR (0.43) CDK5CDK5R1MEN1NPC1RAB9A
SCHEMBL12305708 0.72 GCK (0.47) GCKTGFBR1MEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL191778 0.71 GCK (0.47) GCKTGFBR1MEN1NPC1RAB9A
SCHEMBL190602 0.69 NPC1 (0.58) KCNN1KCNN2KCNN3MECP2MBD2
SCHEMBL2489158 0.69 TGFBR1 (0.37) KCNN1KCNN2KCNN3MECP2MBD2
SCHEMBL6372588 0.68 MECP2 (0.55) KCNN1KCNN2KCNN3MECP2MBD2
SCHEMBL30745793 0.68 GRM4 (0.63) KCNN1KCNN2KCNN3MECP2MBD2
SCHEMBL5174932 0.68 GRM4 (0.63) KCNN1KCNN2KCNN3MECP2MBD2

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
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed