SCHEMBL17412574

SCHEMBL17412574

c1ccc(-c2cccc(-c3cc(-c4cccc(-c5nc(-c6cccc(-c7ccccc7)c6)c6ccccc6n5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ ATM Q13315 1/20 0.53
▸ MAPT P10636 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ ADORA2A P29274 4/20 0.46
▸ WHR1 P49842 1/20 0.46
▸ NUDT1 P36639 3/20 0.44
▸ NR1I3 Q14994 4/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP2B6 P20813 2/20 0.43
▸ AHR P35869 2/20 0.43
▸ VDR P11473 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ GLA P06280 1/20 0.42

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
SCHEMBL17412675 0.96 MEN1 (0.56) MEN1KMT2AATMMAPTKDM4E
SCHEMBL18503962 0.94 MEN1 (0.58) MEN1KMT2AATMMAPTKDM4E
SCHEMBL24084040 0.94 MEN1 (0.58) MEN1KMT2AATMMAPTKDM4E
SCHEMBL26448241 0.94 MEN1 (0.58) MEN1KMT2AATMMAPTKDM4E
SCHEMBL18504103 0.94 MEN1 (0.58) MEN1KMT2AATMMAPTKDM4E
SCHEMBL17412212 0.93 MEN1 (0.60) MEN1KMT2AATMMAPTKDM4E
SCHEMBL17721049 0.93 MEN1 (0.60) MEN1KMT2AATMMAPTKDM4E
SCHEMBL17412668 0.92 MEN1 (0.59) MEN1KMT2AATMMAPTKDM4E
SCHEMBL17412679 0.92 MEN1 (0.59) MEN1KMT2AATMMAPTKDM4E
SCHEMBL18504128 0.92 MEN1 (0.61) MEN1KMT2AATMMAPTALDH1A1

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-2016003225-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-01-07 — — WO disclosed
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