SCHEMBL2667957

SCHEMBL2667957

COc1cc(C(=O)Nc2nccs2)nc(OCCc2ccsc2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
BRD4 O60885 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
LMNA P02545 3/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNMA1 Q12791 1/20 0.44
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.41
HPGDS O60760 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL9070893 0.87 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1LMNAMETAP2
SCHEMBL2667946 0.85 SMN1; SMN2 (0.53) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2667605 0.85 NPC1 (0.48) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2667755 0.84 NPC1 (0.46) SMN1; SMN2RAB9ANPC1LMNAMETAP2
SCHEMBL2667624 0.83 RAB9A (0.46) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2667608 0.80 GCK (0.60)
SCHEMBL9070795 0.76 GCK (0.47) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL9070971 0.76 GCK (0.53) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL9070892 0.75 GCK (0.43) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL2667945 0.74 RAB9A (0.51) SMN1; SMN2BRD4MAPTRAB9ANPC1

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
WO-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed