SCHEMBL25006259

SCHEMBL25006259

Bc1c(B)c(B)c(-c2c(B)c(B)c(-c3c4c(B)c(B)c(B)c(B)c4c(-c4cccc5oc6ccccc6c45)c4c(B)c(B)c(B)c(B)c34)c(B)c2B)c(B)c1B

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 5/20 0.36
MAPT P10636 4/20 0.36
MAOA P21397 3/20 0.36
HSD17B10 Q99714 3/20 0.36
GLA P06280 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 2/20 0.36
PGAM1 P18669 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CDC14B O60729 1/20 0.35
CDC14A Q9UNH5 1/20 0.35
NTRK1 P04629 1/20 0.34
PLK3 Q9H4B4 1/20 0.34
ALOX5 P09917 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 3/20 0.32

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
SCHEMBL25005984 0.95 MAOA (0.33) ALDH1A1KDM4EHPGDMAPTMAOA
SCHEMBL23814498 0.94 MAOA (0.34) ALDH1A1KDM4EHPGDMAPTMAOA
SCHEMBL23814504 0.91 MAOA (0.33) ALDH1A1KDM4EHPGDMAPTMAOA
SCHEMBL23814587 0.91 MAOA (0.34) ALDH1A1KDM4EHPGDMAPTMAOA
SCHEMBL24449829 0.90 MAOA (0.32) ALDH1A1KDM4EHPGDMAPTMAOA
SCHEMBL24449826 0.88 MAOA (0.33) ALDH1A1KDM4EHPGDMAPTMAOA
SCHEMBL21906990 0.88 CA1 (0.39) ALDH1A1KDM4EHPGDMAPTMAOA
SCHEMBL24449506 0.86 BACE1 (0.34) ALDH1A1KDM4EHPGDMAPTMAOA
SCHEMBL24823662 0.85 TDP1 (0.44) ALDH1A1KDM4EHPGDMAPTMAOA
SCHEMBL24767089 0.85 TDP1 (0.38) ALDH1A1KDM4EHPGDMAPTMAOA

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