SCHEMBL17861235

SCHEMBL17861235

c1ccc(-c2nc(-c3ccccc3)nc(-n3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc4ccccc43)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 1/20 0.47
▸ APP P05067 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ATM Q13315 2/20 0.44
▸ KMT2A Q03164 3/20 0.41
▸ CYP2C9 P11712 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAC2 P15153 1/20 0.36
▸ RAC3 P60763 1/20 0.36
▸ CDC42 P60953 1/20 0.36
▸ RAC1 P63000 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ RXRA P19793 1/20 0.34

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
SCHEMBL17861233 0.99 HAO1 (0.46) HAO1APPKDM4EL3MBTL1ATM
SCHEMBL17861259 0.93 HAO1 (0.41) HAO1APPKDM4EL3MBTL1ATM
SCHEMBL17861265 0.88 KDM4E (0.42) HAO1APPKDM4EL3MBTL1ATM
SCHEMBL17861395 0.88 APP (0.45) HAO1APPKDM4EL3MBTL1ATM
SCHEMBL17861230 0.87 APP (0.44) HAO1APPKDM4EL3MBTL1ATM
SCHEMBL17861393 0.86 KDM4E (0.41) HAO1APPKDM4EL3MBTL1ATM
SCHEMBL9886116 0.86 HAO1 (0.53) HAO1APPKDM4EL3MBTL1ATM
SCHEMBL3871381 0.86 HAO1 (0.53) HAO1APPKDM4EL3MBTL1ATM
SCHEMBL27020624 0.84 L3MBTL1 (0.53) KDM4EL3MBTL1ATMKMT2AHTT
SCHEMBL4546807 0.84 L3MBTL1 (0.61) KDM4EL3MBTL1ATMKMT2AHTT

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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