SCHEMBL16282985

SCHEMBL16282985

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)c3cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HDAC4 P56524 1/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ PGR P06401 2/20 0.33
▸ KHK P50053 1/20 0.31
▸ AKR1C4 P17516 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ AKR1C1 Q04828 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ PDK2 Q15119 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ AVPR1A P37288 1/20 0.30
▸ TSPO P30536 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
SCHEMBL14822241 0.97 L3MBTL1 (0.39) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL15137621 0.97 L3MBTL1 (0.39) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL16282990 0.97 L3MBTL1 (0.39) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL16282965 0.96 KDM4E (0.38) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL18062360 0.96 KDM4E (0.38) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL14822513 0.95 KDM4E (0.42) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL16641313 0.95 KDM4E (0.42) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL16282967 0.95 KDM4E (0.42) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL14849836 0.95 KDM4E (0.42) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL14822420 0.95 KDM4E (0.42) KDM4EATML3MBTL1HDAC4RXRA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364625-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM & HAAS ELECT MAT (KR) 2014-12-11 — — US disclosed
US-20140364625-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM & HAAS ELECT MAT (KR) 2014-12-11 — — US disclosed
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