SCHEMBL31707

SCHEMBL31707

c1ccc(N(c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ ATM Q13315 1/20 0.50
▸ PTPN1 P18031 2/20 0.34
▸ MAPK8 P45983 2/20 0.34
▸ MAPK9 P45984 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HTT P42858 2/20 0.32

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
SCHEMBL13301597 0.93 KDM4E (0.58) KDM4EL3MBTL1ATMPTPN1MAPK8
SCHEMBL18775509 0.93 KDM4E (0.58) KDM4EL3MBTL1ATMPTPN1MAPK8
SCHEMBL16170177 0.92 KDM4E (0.50) KDM4EL3MBTL1ATMPTPN1MAPK8
SCHEMBL19342643 0.91 KDM4E (0.55) KDM4EL3MBTL1ATMPTPN1MAPK8
SCHEMBL10205988 0.91 KDM4E (0.55) KDM4EL3MBTL1ATMPTPN1MAPK8
SCHEMBL23352493 0.91 KDM4E (0.60) KDM4EL3MBTL1ATMMAPK8MAPK9
SCHEMBL13301595 0.91 KDM4E (0.55) KDM4EL3MBTL1ATMPTPN1MAPK8
SCHEMBL13301592 0.91 KDM4E (0.55) KDM4EL3MBTL1ATMPTPN1MAPK8
SCHEMBL76676 0.91 KDM4E (0.55) KDM4EL3MBTL1ATMPTPN1MAPK8
SCHEMBL1979204 0.91 KDM4E (0.60) KDM4EL3MBTL1ATMMAPK8MAPK9

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
WO-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 — — WO disclosed
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