SCHEMBL27255283

SCHEMBL27255283

C1=C(c2ccccc2)CCC(c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6oc7c8ccccc8ccc7c6c5)c4)c4ccccc34)n2)=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
CYP1A1 P04798 6/20 0.33
CYP1A2 P05177 6/20 0.33
CYP1B1 Q16678 6/20 0.33
PRKDC P78527 2/20 0.33
PDE5A O76074 1/20 0.33
TP53 P04637 1/20 0.33
ABCB1 P08183 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 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
SCHEMBL27256706 0.88 MAPK1 (0.44) MAPK1KMT2AKDM4EALDH1A1MAPT
SCHEMBL27254952 0.87 MAPK1 (0.43) MAPK1KMT2AKDM4EALDH1A1MAPT
SCHEMBL27254948 0.85 KMT2A (0.35) MAPK1KMT2AKDM4EALDH1A1MAPT
SCHEMBL26243816 0.81 MAPK1 (0.42) MAPK1KMT2AKDM4EALDH1A1MAPT
SCHEMBL22309970 0.81 MAPT (0.42) MAPK1KMT2AKDM4EALDH1A1MAPT
SCHEMBL27255454 0.80 ALOX5 (0.41) MAPK1KMT2AKDM4EALDH1A1MAPT
SCHEMBL22308590 0.80 MAPT (0.44) MAPK1KMT2AKDM4EALDH1A1MAPT
SCHEMBL22310023 0.80 MAPT (0.44) MAPK1KMT2AKDM4EALDH1A1MAPT
SCHEMBL25460146 0.79 CYP1A1 (0.41) MAPK1KMT2AKDM4EALDH1A1MAPT
SCHEMBL22308592 0.78 MAPT (0.42) MAPK1KMT2AKDM4EALDH1A1MAPT

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
WO-2024024726-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2024-02-01 WO disclosed