SCHEMBL21090747

SCHEMBL21090747

c1ccc2nc3c(cc2c1)OCCN3

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.51
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
ACHE P22303 1/20 0.41
ALOX5AP P20292 9/20 0.40
FEN1 P39748 9/20 0.40
NISCH Q9Y2I1 1/20 0.38
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL21055860 0.78 GRM5 (0.41) GRM5ALDH1A1MAPTALOX5APFEN1
SCHEMBL21089746 0.76 GRM5 (0.42) GRM5ALDH1A1MAPTHPGDALOX5AP
SCHEMBL22743879 0.75 ALDH1A1 (0.39) GRM5ALDH1A1MAPTGLAHPGD
SCHEMBL28145540 0.75 GRM5 (0.44) GRM5ALDH1A1MAPTALOX5APFEN1
SCHEMBL9098370 0.75 RAB9A (0.43) GRM5ALDH1A1MAPTGLAHPGD
SCHEMBL14852740 0.74 MAPT (0.45) GRM5ALDH1A1MAPTGLAHPGD
SCHEMBL28891610 0.72 ALDH1A1 (0.46) ALDH1A1MAPTGLAHPGDACHE
SCHEMBL4795864 0.71 ALDH1A1 (0.45) GRM5ALDH1A1MAPTGLAHPGD
SCHEMBL22509833 0.71 CYP11B1 (0.45) ALDH1A1MAPTGLAHPGDACHE
SCHEMBL5332952 0.70 GRM5 (0.48) GRM5MAPTALOX5APFEN1MEN1

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-2019112719-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. (US) 2019-06-13 WO disclosed