SCHEMBL17861283

SCHEMBL17861283

c1ccc(-c2cc(-c3ccccc3)nc(-n3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc4ccccc43)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 1/20 0.44
▸ APP P05067 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ TSHR P16473 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ AOC3 Q16853 1/20 0.33

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
SCHEMBL17861236 1.00 HAO1 (0.44) HAO1APPKDM4EL3MBTL1ATM
SCHEMBL17861234 0.92 HAO1 (0.37) HAO1APPKDM4EL3MBTL1ATM
SCHEMBL17861241 0.89 KDM4E (0.39) HAO1APPKDM4EL3MBTL1ATM
SCHEMBL17861228 0.89 HAO1 (0.43) HAO1APPKDM4EL3MBTL1ATM
SCHEMBL12031621 0.89 KDM4E (0.47) KDM4EL3MBTL1ATMKMT2ATSHR
SCHEMBL17861232 0.87 KDM4E (0.37) HAO1APPKDM4EL3MBTL1ATM
SCHEMBL17861238 0.86 APP (0.47) HAO1APPKDM4EL3MBTL1ATM
SCHEMBL17861230 0.85 APP (0.44) HAO1APPKDM4EL3MBTL1ATM
SCHEMBL3861466 0.85 HAO1 (0.51) HAO1APPKDM4EL3MBTL1ATM
SCHEMBL13645511 0.85 HAO1 (0.51) HAO1APPKDM4EL3MBTL1ATM

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-2016099204-A2 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME 주식회사 동진쎄미켐 2016-06-23 — — WO disclosed
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