SCHEMBL16588606

SCHEMBL16588606

C1=Cc2c3c(n(-c4cccc(-c5cccc(-n6c7c(c8ccccc86)C=CCC7)c5)c4)c2CC1)CCC=C3

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KMT2A Q03164 1/20 0.30
▸ IL1R1 P14778 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ HTR7 P34969 1/20 0.30
▸ FOLH1 Q04609 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
SCHEMBL14141240 0.97 ATM (0.35) ATMFAAHALDH1A1HSP90AA1PKM
SCHEMBL13616270 0.95 ATM (0.40) ATMFAAHALDH1A1HSP90AA1PKM
SCHEMBL25779686 0.90 ATM (0.40) ATMFAAHALDH1A1HSP90AA1PKM
SCHEMBL23442781 0.89 GRM5 (0.33) ATMFAAHALDH1A1HSP90AA1PKM
SCHEMBL5028260 0.88 KDM4E (0.43) ATMKDM4EL3MBTL1
SCHEMBL19636672 0.87 MGLL (0.40) MGLLKMT2A
SCHEMBL21181243 0.87 KDM4E (0.34) ATMKDM4EL3MBTL1
SCHEMBL22132226 0.87 ATM (0.32) ATMFAAHALDH1A1HSP90AA1PKM
SCHEMBL26752787 0.87 ATM (0.37) ATMFAAHALDH1A1HSP90AA1PKM
SCHEMBL10075610 0.87 KDM4E (0.33) ATMKDM4EL3MBTL1KMT2AIL1R1

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-2851408-A1 ORGANIC LIGHT EMITTING ELEMENT, AND LIGHT EMITTING MATERIAL AND COMPOUND USED IN SAME Kyushu University, National University Corporation (JP) 2015-03-25 — — EP disclosed
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