SCHEMBL21983014

SCHEMBL21983014

c1cc2c3c(c1)Oc1c(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c4c1B3c1c(cccc1O4)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
ALOX5 P09917 1/20 0.37
AHR P35869 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MAOA P21397 2/20 0.33
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33
CYP1A2 P05177 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
SCHEMBL21302912 0.88 PLA2G2A (0.38) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL22874264 0.88 PLA2G2A (0.38) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL16890126 0.87 MAPT (0.39) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21793865 0.83 ALOX5 (0.37) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24306604 0.82 MAPT (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21793580 0.81 MAPT (0.36) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24002699 0.77 ALOX5 (0.36) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21793755 0.76 MAPT (0.39) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21793857 0.76 MAPT (0.39) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24307161 0.76 AHR (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2

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
US-10651395-B2 Organic electroluminescent element, display device, and illumination device Konica Minolta, Inc. (JP) 2020-05-12 US disclosed