SCHEMBL24656629

SCHEMBL24656629

N=C(/N=C(\N)c1cccc2oc3cc(-c4ccc5c(ccc6ccccc65)c4)ccc3c12)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.35
CYP1A2 P05177 1/20 0.35
FYN P06241 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
AHR P35869 1/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HTR2B P41595 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
GLA P06280 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HCRTR1 O43613 1/20 0.33
TSHR P16473 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
SCHEMBL25654459 0.90 HTR2B (0.36) MAPTALDH1A1HTR2BMEN1KMT2A
SCHEMBL24655499 0.90 PRSS1 (0.40) MAPTALDH1A1HTR2BPLGGLA
SCHEMBL24657333 0.90 HTR2B (0.35) CYP1A2FYNAHRMAPTALDH1A1
SCHEMBL23822492 0.88 PLAU (0.38) CYP1A2MAPTALDH1A1HTR2BMEN1
SCHEMBL25506752 0.88 HTR2B (0.37) MAPTALDH1A1HTR2BMEN1KMT2A
SCHEMBL24658270 0.87 HCRTR1 (0.36) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL24655489 0.87 PLAU (0.36) CYP1A2MAPTALDH1A1HTR2BF2
SCHEMBL25506602 0.86 HTR2B (0.36) CYP1A2FYNAHRMAPTALDH1A1
SCHEMBL27370746 0.85 F2 (0.35) CYP1A2MAPTHTR2BMEN1KMT2A
SCHEMBL24907678 0.84 ALDH1A1 (0.43) MAOAMAPTALDH1A1HTR2BMEN1

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-2022177374-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-08-25 WO disclosed