SCHEMBL20310822

SCHEMBL20310822

C1=Cc2c3c(n(-c4ccccc4-c4ccc5c(c4)c4cc(-c6ccccc6-n6c7ccccc7c7ccccc76)ccc4n5-c4ccccc4)c2CC1)CCC=C3

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.32
▸ KDR P35968 1/20 0.31
▸ PTGER4 P35408 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
SCHEMBL12959043 0.94 KDM4E (0.39) KDM4EATML3MBTL1ALDH1A1KDR
SCHEMBL21698220 0.89 KDM4E (0.42) KDM4EATML3MBTL1PTGER4
SCHEMBL25944621 0.89 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL27334829 0.87 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL25732882 0.86 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL12018971 0.85 L3MBTL1 (0.45) KDM4EATML3MBTL1ALDH1A1KDR
SCHEMBL16853849 0.85 L3MBTL1 (0.45) KDM4EATML3MBTL1ALDH1A1KDR
SCHEMBL23203999 0.85 KDM4E (0.38) KDM4EATML3MBTL1ALDH1A1
SCHEMBL21921685 0.84 TSPO (0.33) ALDH1A1
SCHEMBL18639432 0.84 KDM4E (0.38) KDM4EATML3MBTL1

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-2272828-B1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL & SUMIKIN CHEM CO (JP) 2018-06-27 — — EP disclosed
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