SCHEMBL24550242

SCHEMBL24550242

c1ccc(-c2ccc(-c3nc4cc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9cccc%10ccccc9%10)cc8)n7)ccc6c5cc4s3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.38
▸ NFKB1 P19838 5/20 0.38
▸ NFKB2 Q00653 5/20 0.38
▸ RELA Q04206 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 7/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ HPGD P15428 5/20 0.37
▸ GAA P10253 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ GLA P06280 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL24551757 0.92 KDM4E (0.39) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL24550453 0.90 KDM4E (0.37) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL24552058 0.90 KDM4E (0.38) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL24545437 0.89 KDM4E (0.42) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL24552636 0.89 KDM4E (0.37) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL24553434 0.89 KDM4E (0.40) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL24552090 0.88 KDM4E (0.43) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL24553406 0.88 KDM4E (0.37) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL24553414 0.87 KDM4E (0.41) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL24552645 0.86 KDM4E (0.45) KDM4ENFKB1NFKB2RELASMN1; SMN2

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-2022131869-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-06-23 — — WO disclosed
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