SCHEMBL21845438

SCHEMBL21845438

CC1CC=Cc2c1n(-c1cccc(-c3ccccc3)c1)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSPO P30536 3/20 0.34
▸ WNK1 Q9H4A3 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ DNM1 Q05193 1/20 0.31
▸ HDAC4 P56524 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
SCHEMBL19570179 0.98 KDM4E (0.37) ATMKDM4EL3MBTL1TSPOWNK1
SCHEMBL21155888 0.93 KDM4E (0.42) ATMKDM4EL3MBTL1TSPOHDAC4
SCHEMBL19570071 0.93 KDM4E (0.42) ATMKDM4EL3MBTL1TSPOHDAC4
SCHEMBL24445328 0.92 TSPO (0.30) TSPO
SCHEMBL20707565 0.91 KDM4E (0.40) ATMKDM4EL3MBTL1TSPOHDAC4
SCHEMBL19046298 0.90 TSPO (0.33) ATMKDM4EL3MBTL1TSPO
SCHEMBL22185942 0.90 KDM4E (0.34) ATMKDM4EL3MBTL1WNK1HDAC4
SCHEMBL20962321 0.89 HDAC4 (0.32) ATMKDM4EL3MBTL1HDAC4
SCHEMBL21673180 0.87 KDM4E (0.33) ATMKDM4EL3MBTL1
SCHEMBL26000318 0.87 RAC2 (0.32) ATMKDM4EL3MBTL1

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-3477720-B1 ORGANIC LIGHT EMITTING ELEMENT LG CHEMICAL LTD (KR) 2020-03-18 — — EP disclosed
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