SCHEMBL23193293

SCHEMBL23193293

C=C/C(=C\C=C/C)c1nc(-c2ccccc2)nc(-c2cc(/C(C)=C/C=C(\C)c3ncccn3)cc(-c3cccc4ccccc34)c2)n1

nearest known ligand 0.30

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ HTR2C P28335 1/20 0.30

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
SCHEMBL23193221 0.80 HTR2C (0.37) CNR1CNR2KDM4EALDH1A1TP53
SCHEMBL23193559 0.76 SERPINE1 (0.32) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL21574705 0.76 L3MBTL1 (0.41) ALDH1A1MAPTHPGDTSHRNFKB1
SCHEMBL21975940 0.76 LIMK1 (0.34) —
SCHEMBL22308954 0.75 MEN1 (0.37) KDM4EALDH1A1MAPTHPGD
SCHEMBL22309943 0.75 MEN1 (0.34) KDM4EALDH1A1MAPTHPGD
SCHEMBL19723729 0.74 — —
SCHEMBL24115583 0.74 L3MBTL1 (0.37) KDM4EMAPTHPGDTSHRNFKB1
SCHEMBL25145285 0.73 LIMK1 (0.34) —
SCHEMBL19413586 0.73 L3MBTL1 (0.37) ALDH1A1MAPTHPGDTSHRMAPK1

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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