SCHEMBL23193559

SCHEMBL23193559

C=N/C(=C\C=C/C)c1cccc(-c2cc(-c3nc(/C(C)=C/C=C\C)nc(-c4ccccc4)n3)cc(-c3cccc4ccccc34)c2)c1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL19053829 0.79 KDM4E (0.35) SERPINE1KDM4EALDH1A1TP53MAPT
SCHEMBL19053783 0.78 MAPT (0.33) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL21098947 0.77 SIRT2 (0.33) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL23193293 0.76 CNR1 (0.30) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL22085115 0.75 MAPK1 (0.38) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL23193466 0.74 HPGD (0.34) SERPINE1KDM4EALDH1A1TP53MAPT
SCHEMBL21099046 0.74 DHODH (0.34) KDM4EHPGDTSHRMAPK1SMN1; SMN2
SCHEMBL19413715 0.74 ALDH1A1 (0.33) SERPINE1KDM4EALDH1A1TP53MAPT
SCHEMBL23921477 0.73 CCR1 (0.34) L3MBTL1
SCHEMBL22147418 0.72 CNR1 (0.37) KDM4ETDP1

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-3188268-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-04-07 — — EP disclosed
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