SCHEMBL2666744

SCHEMBL2666744

COc1ccccc1C1CC(c2cccc(NC(=O)c3ccccc3)c2)=NN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 3/20 0.51
KCNK3 O14649 2/20 0.51
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
NLRP3 Q96P20 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMO Q99835 1/20 0.44

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
SCHEMBL2666990 0.77 MAOA (0.50) MEN1KMT2APOLBMAOAMAOB
SCHEMBL9072004 0.71 MAOA (0.51) RAB9ANPC1MEN1KMT2AMAOA
SCHEMBL2667043 0.70 CXCL12 (0.60) MEN1KMT2AMAOAMAOBMAPT
SCHEMBL2666743 0.70 PKM (0.41) MEN1KMT2APOLBMAOAMAOB
SCHEMBL1528674 0.69 BCHE (0.64) KCNK9KCNK3RAB9ANPC1NLRP3
SCHEMBL2176828 0.68 NPC1 (1.00) KCNK9KCNK3RAB9ANPC1NLRP3
SCHEMBL29800540 0.68 NPC1 (1.00) KCNK9KCNK3RAB9ANPC1NLRP3
SCHEMBL20227586 0.67 KCNK3 (0.79) KCNK9KCNK3RAB9ANPC1TRPV1
SCHEMBL2666926 0.67 MAOA (0.44) RAB9AMEN1KMT2APOLBMAOA
SCHEMBL4253111 0.66 TRPV1 (1.00) KCNK9KCNK3RAB9ANPC1NLRP3

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-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 WO disclosed