SCHEMBL23814409

SCHEMBL23814409

Bc1c(B)c(B)c(-c2c(B)c(B)c(-c3c4c(B)c(B)c(B)c(B)c4c(-c4ccc5oc6ccccc6c5c4)c4c(B)c(B)c(B)c(B)c34)c3c(B)c(B)c(B)c(B)c23)c(B)c1B

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
AHR P35869 2/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PLA2G2A P14555 3/20 0.35
PLA2G4A P47712 3/20 0.35
LMNA P02545 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 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
SCHEMBL23814782 0.98 MAPT (0.44) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23814738 0.97 MAPT (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23814710 0.97 MAPT (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23814795 0.97 MAPT (0.42) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23814616 0.97 MAPT (0.42) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24479499 0.97 MAPT (0.42) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25006127 0.97 MAPT (0.42) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23814776 0.96 MAPT (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24449505 0.96 MAPT (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23814449 0.96 MAPT (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-20210288260-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-09-16 US disclosed