SCHEMBL15580339

SCHEMBL15580339

C=P(O)(O)c1ccc(Oc2cccc(C(=O)Nc3nccs3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.61
NPC1 O15118 6/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
GCK P35557 5/20 0.50
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.48
SCD O00767 1/20 0.48

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
SCHEMBL12021592 0.91 RAB9A (0.64) RAB9ANPC1HPGDSMN1; SMN2KCNK3
SCHEMBL6919419 0.80 NPC1 (0.66) RAB9ANPC1HPGDSMN1; SMN2KCNK3
SCHEMBL6918739 0.80 RAB9A (0.66) RAB9ANPC1HPGDSMN1; SMN2KCNK3
SCHEMBL30099022 0.78 RAB9A (0.77) RAB9ANPC1HPGDSMN1; SMN2KCNK3
SCHEMBL2658269 0.76 GCK (0.55) RAB9ANPC1HPGDSMN1; SMN2KCNK3
SCHEMBL27652020 0.76 RAB9A (0.74) RAB9ANPC1HPGDSMN1; SMN2KCNK3
SCHEMBL12021365 0.76 GCK (0.70) GCK
SCHEMBL2664741 0.76 RAB9A (0.73) RAB9ANPC1HPGDSMN1; SMN2KCNK3
SCHEMBL4755922 0.74 RAB9A (0.71) RAB9ANPC1HPGDSMN1; SMN2KCNK3
SCHEMBL2656743 0.74 GCK (0.74) GCK

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
EP-2185570-B1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS INC (US) 2014-03-19 EP disclosed