SCHEMBL17661314

SCHEMBL17661314

Sc1ccccc1-c1cccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)ccc3Nc3ccccc3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 2/20 0.40
▸ MEN1 O00255 5/20 0.39
▸ MAPT P10636 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ PTBP1 P26599 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GALK1 P51570 1/20 0.39
▸ SMAD3 P84022 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL17660914 0.95 SIRT2 (0.43) ALKMEN1MAPTKMT2ALMNA
SCHEMBL17533138 0.91 GAA (0.41) ALKMEN1MAPTKMT2ALMNA
SCHEMBL17661457 0.86 ALK (0.47) ALKMEN1MAPTKMT2ALMNA
SCHEMBL17547202 0.85 ALK (0.42) ALKMEN1MAPTKMT2ALMNA
SCHEMBL17463827 0.85 ALK (0.42) ALKMEN1MAPTKMT2ALMNA
SCHEMBL17779594 0.84 ALK (0.41) ALKMEN1MAPTKMT2ALMNA
SCHEMBL17547175 0.84 SIRT2 (0.48) ALKMEN1MAPTKMT2ALMNA
SCHEMBL17468618 0.83 — —
SCHEMBL14877562 0.82 ALK (0.44) ALKMEN1MAPTKMT2ALMNA
SCHEMBL17547231 0.82 ALK (0.44) ALKMEN1MAPTKMT2ALMNA

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-2016052835-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-04-07 — — WO disclosed
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