SCHEMBL23814738

SCHEMBL23814738

Bc1c(B)c(-c2c(B)c(B)c(B)c3c(B)c(B)c(B)c(B)c23)c(B)c(-c2c3c(B)c(B)c(B)c(B)c3c(-c3ccc4oc5ccccc5c4c3)c3c(B)c(B)c(B)c(B)c23)c1B

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
AHR P35869 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PLA2G2A P14555 3/20 0.33
PLA2G4A P47712 3/20 0.33
CHEK2 O96017 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 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
SCHEMBL23814710 0.97 MAPT (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23814616 0.97 MAPT (0.42) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23814795 0.97 MAPT (0.42) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25006127 0.97 MAPT (0.42) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23814409 0.97 MAPT (0.42) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23814843 0.96 MAPT (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23814753 0.96 MAPT (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24449505 0.96 MAPT (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23814449 0.96 MAPT (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23814782 0.96 MAPT (0.44) 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-20210288260-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-09-16 US disclosed