SCHEMBL2667942

SCHEMBL2667942

CCCCCOc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(OC)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
USP2 O75604 1/20 0.60
NPC1 O15118 12/20 0.57
PKM P14618 6/20 0.57
TP53 P04637 1/20 0.57
POLB P06746 2/20 0.57
HTT P42858 1/20 0.57
MAOB P27338 1/20 0.56
ADORA2A P29274 1/20 0.56
ALDH1A1 P00352 1/20 0.55
KLF5 Q13887 2/20 0.54
SPHK2 Q9NRA0 1/20 0.54
SPHK1 Q9NYA1 1/20 0.54
SCD O00767 1/20 0.52
OPRK1 P41145 1/20 0.52

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
SCHEMBL2667941 0.78 NPC1 (0.57) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11705210 0.78 RAB9A (0.55) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL11801720 0.75 SPHK2 (0.68) RAB9ASMN1; SMN2LMNAMAPTNPC1
SCHEMBL11715582 0.74 SPHK2 (0.60) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3926899 0.74 NPC1 (1.00) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11207978 0.73 RAB9A (1.00) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9070896 0.73 HCAR3 (0.52)
SCHEMBL22193346 0.73 RAB9A (1.00) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL11865449 0.72 NPC1 (0.65) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL11703736 0.72 NPC1 (0.91) RAB9ASMN1; SMN2MEN1KMT2AMAPT

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