SCHEMBL25005395

SCHEMBL25005395

Bc1c(B)c(B)c2c(-c3ccc(-c4cccc5ccccc45)c4ccccc34)c3c(B)c(B)c(B)c(B)c3c(-c3ccc4oc5ccccc5c4c3)c2c1B

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
MAPT P10636 6/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALOX5 P09917 2/20 0.35
HSD17B10 Q99714 4/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
PIM1 P11309 2/20 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
SCHEMBL21906921 0.97 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL21908006 0.94 PLA2G2A (0.38) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL24479976 0.93 MAPT (0.36) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL25683352 0.93 MAOB (0.34) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL21906989 0.93 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL21906994 0.91 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL21940341 0.90 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL22382163 0.89 AHR (0.36) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL25006040 0.87 MAPT (0.35) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL23758578 0.86 ALOX5 (0.41) ALDH1A1MAPTKDM4EHPGDMEN1

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-20230042023-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-02-09 US disclosed