SCHEMBL7709564

SCHEMBL7709564

COc1ccc2c(c1C)Oc1ccc(-c3cccnc3)cc1C2/N=C(/N)N(C)C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.41
MKNK2 Q9HBH9 5/20 0.41
ERN1 O75460 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ABCB1 P08183 4/20 0.35
ABCC1 P33527 3/20 0.35
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
CYP19A1 P11511 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.34
CTSD P07339 2/20 0.34
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
GPR55 Q9Y2T6 1/20 0.33
REN P00797 1/20 0.33

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
SCHEMBL7711197 0.89 MKNK1 (0.37) MKNK1MKNK2CYP11B1CYP11B2CTSD
SCHEMBL7710836 0.88 ERN1 (0.35) ERN1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7705399 0.85 BACE1 (0.35) CTSDBACE1BACE2
SCHEMBL7715200 0.83 MKNK1 (0.37) MKNK1MKNK2ERN1MAPK1CYP11B1
SCHEMBL7711100 0.80 KDR (0.39) CYP11B1CYP11B2MAPT
SCHEMBL7710613 0.79 CYP11B1 (0.38) MKNK1MKNK2ERN1MAPK1CYP11B1
SCHEMBL7710882 0.78 CCNC (0.38) MAPK1CYP11B1CYP11B2NPC1RAB9A
SCHEMBL7712995 0.76 BACE1 (0.41) CYP11B1CYP11B2CTSDBACE1BACE2
SCHEMBL7708344 0.74 ERN1 (0.32) ERN1BACE1
SCHEMBL7712670 0.72 ERN1 (0.34) MKNK1MKNK2ERN1CYP11B2BACE1

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-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed