SCHEMBL28680644

SCHEMBL28680644

Brc1ccc(-c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
OPRK1 P41145 1/20 0.47
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
PDK2 Q15119 8/20 0.39
TDP2 O95551 1/20 0.39
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
PTPRC P08575 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
APAF1 O14727 1/20 0.35

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
SCHEMBL13312965 0.90 PDK2 (0.45) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL15892491 0.90 ALDH1A1 (0.45) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL18977082 0.90 MEN1 (0.53) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL1783501 0.90 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL31358608 0.90 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL28452241 0.88 PTPRC (0.42) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL23264469 0.88 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL17283622 0.87 KDM4E (0.36) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL15551440 0.86 MEN1 (0.53) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL29535882 0.86 MEN1 (0.53) MEN1KMT2ASMN1; SMN2LMNAMAPT

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
CN-113912505-A Novel compound and organic light-emitting element comprising same 东进世美肯株式会社 2022-01-11 CN disclosed