SCHEMBL22249832

SCHEMBL22249832

CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ RAC2 P15153 1/20 0.32
▸ RAC3 P60763 1/20 0.32
▸ CDC42 P60953 1/20 0.32
▸ RAC1 P63000 1/20 0.32
▸ RXRA P19793 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
SCHEMBL802487 0.96 L3MBTL1 (0.33) L3MBTL1KDM4EATMRAC2RAC3
SCHEMBL19104488 0.95 KDM4E (0.30) L3MBTL1KDM4EATM
SCHEMBL2603607 0.93 RAC2 (0.34) L3MBTL1KDM4EATMRAC2RAC3
SCHEMBL20615973 0.93 KDM4E (0.31) L3MBTL1KDM4EATMRAC2RAC3
SCHEMBL25517449 0.92 ATM (0.35) L3MBTL1KDM4EATMRAC2RAC3
SCHEMBL25517442 0.92 ATM (0.35) L3MBTL1KDM4EATMRAC2RAC3
SCHEMBL18593801 0.92 ATM (0.35) L3MBTL1KDM4EATMRAC2RAC3
SCHEMBL19104503 0.91 KDM4E (0.30) L3MBTL1KDM4EATM
SCHEMBL25966007 0.91 ATM (0.34) L3MBTL1KDM4EATMRAC2RAC3
SCHEMBL16978541 0.90 KDM4E (0.33) L3MBTL1KDM4EATM

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-2020149596-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME 주식회사 엘지화학 2020-07-23 — — WO disclosed
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