SCHEMBL22313615

SCHEMBL22313615

CN(C)c1cccc2c1OCCN2C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
GRM5 P41594 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ADRB1 P08588 1/20 0.34
FGB P02675 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
PKLR P30613 1/20 0.33
RAB9A P51151 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 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
SCHEMBL22317843 0.81 NOTUM (0.37) NOTUMKDM4EGAAMAPTADRB1
SCHEMBL8593458 0.79 L3MBTL1 (0.46) NOTUMFGBL3MBTL1
SCHEMBL22717412 0.77 NOTUM (0.39) NOTUMGRM5CYP11B1CYP11B2ADRB1
SCHEMBL3595427 0.77 HTR6 (0.51) NOTUMGRM5CYP11B1CYP11B2GAA
SCHEMBL27259961 0.77 NOTUM (0.60) NOTUMGAAFGBL3MBTL1NPC1
SCHEMBL23384700 0.77 NOTUM (0.39) NOTUMGRM5CYP11B1CYP11B2ADRB1
SCHEMBL27358451 0.77 NPC1 (0.45) NOTUMGRM5CYP11B1CYP11B2KDM4E
SCHEMBL1082973 0.76 NOTUM (0.41) NOTUMGRM5CYP11B1CYP11B2ADRB1
SCHEMBL13545368 0.75 TP53 (0.38) NOTUMGRM5CYP11B1CYP11B2PIM1
SCHEMBL24184925 0.75 NOTUM (0.37) NOTUMGRM5CYP11B1CYP11B2FGB

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-2020160175-A1 QUINDOLINE COMPOUNDS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-06 WO disclosed