SCHEMBL13672108

SCHEMBL13672108

C/C=C\c1c(/C=C\C)n(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HDAC4 P56524 1/20 0.40
▸ AKR1C4 P17516 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ GPR3 P46089 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PTPN1 P18031 2/20 0.31
▸ MAPK8 P45983 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ IL1R1 P14778 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
SCHEMBL23047135 0.90 KDM4E (0.41) KDM4EATML3MBTL1HDAC4AKR1C4
SCHEMBL21418276 0.90 KDM4E (0.41) KDM4EATML3MBTL1HDAC4AKR1C4
SCHEMBL24609412 0.90 KDM4E (0.41) KDM4EATML3MBTL1HDAC4AKR1C4
SCHEMBL20858443 0.88 KDM4E (0.50) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL18506334 0.87 KDM4E (0.36) KDM4EATML3MBTL1HDAC4AKR1C4
SCHEMBL27351133 0.87 KDM4E (0.38) KDM4EATML3MBTL1HDAC4AKR1C4
SCHEMBL21972803 0.85 KDM4E (0.44) KDM4EATML3MBTL1HDAC4AKR1C4
SCHEMBL22294724 0.85 KDM4E (0.44) KDM4EATML3MBTL1HDAC4AKR1C4
SCHEMBL23813510 0.85 KDM4E (0.44) KDM4EATML3MBTL1GPR3POLB
SCHEMBL18970061 0.85 KDM4E (0.36) KDM4EATML3MBTL1HDAC4AKR1C4

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-2112702-A1 ORGANIC FIELD EMITTING ELEMENT AND METHOD FOR MANUFACTURING ORGANIC DEVICE Mitsubishi Chemical Corporation (JP) 2009-10-28 — — EP disclosed
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