SCHEMBL21299861

SCHEMBL21299861

C=Nc1cccnc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.61
BTK Q06187 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
PLAU P00749 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
GRM5 P41594 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
NFE2L2 Q16236 2/20 0.35
MEN1 O00255 1/20 0.35
NSD2 O96028 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CASP6 P55212 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL2828117 0.76 APLNR (1.00) APLNRBTKL3MBTL1GAAPLAU
SCHEMBL20920913 0.72
SCHEMBL129116 0.72
SCHEMBL28800617 0.72 IDH1 (0.44) APLNRBTKL3MBTL1GAANPC1
Pyrazine SCHEMBL28210110 0.71 CA1 (0.44) L3MBTL1GAANPC1RAB9AALDH1A1
SCHEMBL29612256 0.70 CHRNB4 (0.49) APLNRBTKPLAUNPC1RAB9A
SCHEMBL29497427 0.70
SCHEMBL63365 0.70 CHRNB4 (0.49) APLNRBTKPLAUNPC1RAB9A
SCHEMBL129117 0.70
SCHEMBL8888379 0.69 APLNR (0.44) APLNRBTKL3MBTL1GAAPLAU

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020225778-A1 MATERIALS FOR FORMING A NUCLEATION-INHIBITING COATING AND DEVICES INCORPORATING SAME OTI LUMIONICS INC. (CA) 2020-11-12 WO disclosed
EP-2935247-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2019-08-28 EP disclosed