SCHEMBL17412559

SCHEMBL17412559

Cc1ccc(-c2cc(-c3cccc(-c4nc(-c5ccc(C)cc5)c5ccccc5n4)c3)nc(-c3ccc(C)cc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.56
▸ KMT2A Q03164 6/20 0.56
▸ ATM Q13315 2/20 0.56
▸ CYP1A1 P04798 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP1B1 Q16678 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ ADORA2A P29274 2/20 0.52
▸ WHR1 P49842 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ XBP1 P17861 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MAPT P10636 5/20 0.49
▸ HPGD P15428 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 3/20 0.48

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
SCHEMBL17412568 0.92 MEN1 (0.61) MEN1KMT2AATMCYP1A1CYP1A2
SCHEMBL17412569 0.92 MEN1 (0.61) MEN1KMT2AATMCYP1A1CYP1A2
SCHEMBL17412557 0.92 MEN1 (0.60) MEN1KMT2AATMCYP1A2ALDH1A1
SCHEMBL17412212 0.91 MEN1 (0.60) MEN1KMT2AATMCYP1A1CYP1A2
SCHEMBL17721049 0.91 MEN1 (0.60) MEN1KMT2AATMCYP1A1CYP1A2
SCHEMBL17412668 0.90 MEN1 (0.59) MEN1KMT2AATMCYP1A2ALDH1A1
SCHEMBL17412163 0.89 MEN1 (0.61) MEN1KMT2AATMCYP1A1CYP1A2
SCHEMBL17412675 0.88 MEN1 (0.56) MEN1KMT2AATMCYP1A1CYP1A2
SCHEMBL22309376 0.88 MEN1 (0.60) MEN1KMT2AATMCYP1A2ALDH1A1
SCHEMBL22309532 0.88 MEN1 (0.60) MEN1KMT2AATMCYP1A2ALDH1A1

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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