SCHEMBL17412679

SCHEMBL17412679

c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)nc4ccccc34)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.59
▸ KMT2A Q03164 5/20 0.59
▸ ATM Q13315 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ GLA P06280 1/20 0.48
▸ DHODH Q02127 1/20 0.47
▸ ACHE P22303 1/20 0.45
▸ ADORA2A P29274 3/20 0.44
▸ WHR1 P49842 1/20 0.44
▸ CYP1A1 P04798 4/20 0.44
▸ CYP1A2 P05177 4/20 0.44
▸ CYP1B1 Q16678 4/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ NUDT1 P36639 1/20 0.42
▸ ABCG2 Q9UNQ0 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 0.97 MEN1 (0.56) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL17412163 0.95 MEN1 (0.61) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL17412212 0.94 MEN1 (0.60) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL17721049 0.94 MEN1 (0.60) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL18504101 0.94 MEN1 (0.66) MEN1KMT2AATMMAPTADORA2A
SCHEMBL17412569 0.93 MEN1 (0.61) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL17412568 0.93 MEN1 (0.61) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL17412667 0.92 MEN1 (0.60) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL18504114 0.92 MEN1 (0.49) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL17412574 0.92 MEN1 (0.53) MEN1KMT2AATMALDH1A1MAPT

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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