SCHEMBL9070830

SCHEMBL9070830

O=C(Nc1nccs1)c1cc(O)nc(OCCCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SCD O00767 1/20 0.49
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
LMNA P02545 1/20 0.46
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45

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
SCHEMBL9070870 0.90 RAB9A (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2667715 0.87 NPC1 (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2667540 0.82 NPC1 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2668008 0.82 NPC1 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2667667 0.82 NPC1 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9070824 0.78 SMN1; SMN2 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9070822 0.77 RAB9A (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9070914 0.77 RAB9A (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9070819 0.76 RAB9A (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2667946 0.76 SMN1; SMN2 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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