SCHEMBL26464174

SCHEMBL26464174

COc1ccc(-c2c[nH]c(-c3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.47
ALOX5 P09917 2/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 3/20 0.45
CLK1 P49759 1/20 0.45
CLK2 P49760 1/20 0.45
DYRK1A Q13627 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
GAA P10253 1/20 0.44
MPI P34949 1/20 0.44
GFER P55789 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
SCHEMBL7135272 1.00 PDGFRB (0.47) PDGFRBALOX5PIK3CAPIK3CBPIK3CG
SCHEMBL11771726 0.92 KDM4E (0.50) PDGFRBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7137198 0.87 KDM4E (0.46) PDGFRBALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL650259 0.86 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7142078 0.86 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL8142183 0.85 AURKA (0.47) PDGFRBNPC1RAB9AALDH1A1HPGD
SCHEMBL26464666 0.84 MCL1 (0.47) PDGFRBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23758262 0.83 GSK3B (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL1676493 0.83 CXCR2 (0.47) PIK3CAPIK3CBPIK3CGNPC1RAB9A
Hydrochloric Acid SCHEMBL7140665 0.83 MAPK13 (0.48) PDGFRBALOX5NPC1RAB9AALDH1A1

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-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
EP-4173485-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-03 EP disclosed