SCHEMBL26501217

SCHEMBL26501217

Oc1c(O)c(O)c(-c2c(O)c(O)c3c(-c4c5ccccc5c(-c5cccc6oc7cc8ccccc8cc7c56)c5ccccc45)c(O)c4c(O)c(O)c(O)c(O)c4c3c2O)c(O)c1O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 2/20 0.32
MEN1 O00255 3/20 0.32
CYP3A4 P08684 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
TP53 P04637 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
RECQL P46063 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PSD A5PKW4 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MAOA P21397 2/20 0.31

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
SCHEMBL23758599 0.83 PSD (0.42) MEN1CYP3A4MAPTKMT2ATP53
SCHEMBL23943273 0.82 HPGD (0.32) MEN1CYP3A4MAPTKMT2ATP53
SCHEMBL24454780 0.81 AHR (0.39) MEN1CYP3A4MAPTKMT2ATP53
SCHEMBL23758639 0.81 PSD (0.40) MEN1CYP3A4MAPTKMT2ATP53
SCHEMBL17931897 0.80 PSD (0.40) MEN1MAPTKMT2ATP53KDM4E
SCHEMBL26501394 0.80 ESR1 (0.33) MEN1CYP3A4MAPTKMT2ACYP2D6
SCHEMBL23758634 0.80 ESR1 (0.36) MEN1CYP3A4MAPTKMT2ATP53
SCHEMBL23758638 0.79 KDM4E (0.39) MEN1MAPTKMT2AKDM4EHPGD
SCHEMBL24663086 0.79 CES1 (0.45) MEN1MAPTKMT2ATP53KDM4E
SCHEMBL23758642 0.79 ALDH1A1 (0.38) MEN1CYP3A4MAPTKMT2AKDM4E

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
EP-4257657-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE Idemitsu Kosan Co.,Ltd. (JP) 2023-10-11 EP disclosed