SCHEMBL21673180

SCHEMBL21673180

CC1CC=Cc2c1n(-c1cccc(C#N)c1)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NOTUM Q6P988 2/20 0.32
▸ HTR3A P46098 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL19570071 0.89 KDM4E (0.42) KDM4EATML3MBTL1PTGER4
SCHEMBL21155888 0.89 KDM4E (0.42) KDM4EATML3MBTL1PTGER4
SCHEMBL19570179 0.88 KDM4E (0.37) KDM4EATML3MBTL1PTGER4
SCHEMBL21845438 0.87 ATM (0.35) KDM4EATML3MBTL1
SCHEMBL25523665 0.86 — —
SCHEMBL25536101 0.86 — —
SCHEMBL20707565 0.85 KDM4E (0.40) KDM4EATML3MBTL1PTGER4
SCHEMBL22029987 0.84 RORC (0.35) KDM4EATML3MBTL1PTGER4
SCHEMBL15248329 0.82 KDM4E (0.50) KDM4EATML3MBTL1NOTUMPTGER4
SCHEMBL22134593 0.81 KDM4E (0.33) 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-2790239-B1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO (JP) 2020-02-05 — — EP disclosed
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