SCHEMBL22185942

SCHEMBL22185942

CC1CC=Cc2c1n(-c1cccc(-c3cccc(-c4ccc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)cc4)c3)c1)c1cc(-n3c4ccccc4c4ccccc43)ccc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HDAC4 P56524 1/20 0.31
▸ WNK1 Q9H4A3 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
SCHEMBL13903725 0.92 KDM4E (0.37) KDM4EATML3MBTL1HDAC4
SCHEMBL21388324 0.92 KDM4E (0.36) KDM4EATML3MBTL1HDAC4
SCHEMBL19570179 0.90 KDM4E (0.37) KDM4EATML3MBTL1HDAC4WNK1
SCHEMBL21845438 0.90 ATM (0.35) KDM4EATML3MBTL1HDAC4WNK1
SCHEMBL20707565 0.87 KDM4E (0.40) KDM4EATML3MBTL1HDAC4
SCHEMBL18568854 0.86 KDM4E (0.40) KDM4EATML3MBTL1HDAC4
SCHEMBL25956652 0.86 KDM4E (0.40) KDM4EATML3MBTL1
SCHEMBL22415195 0.86 KDM4E (0.40) KDM4EATML3MBTL1
SCHEMBL26000318 0.85 RAC2 (0.32) KDM4EATML3MBTL1
SCHEMBL19636674 0.84 GRM5 (0.34) —

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-3674290-A2 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-07-01 — — EP disclosed
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