SCHEMBL18357413

SCHEMBL18357413

c1ccc(-c2cccc(-n3c4cc5c6ncccc6n(-c6cccc(-c7ccccc7)n6)c5cc4c4ncccc43)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 6/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 2/20 0.36
▸ COMT P21964 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ ASIC3 Q9UHC3 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL4562438 0.88 RAB9A (0.42) TOP1RAB9AKMT2AMEN1NPC1
SCHEMBL4561484 0.86 MAPT (0.36) TOP1RAB9AKMT2AMEN1MAPT
SCHEMBL4561428 0.86 TOP1 (0.35) TOP1RAB9AKMT2AMEN1MAPT
SCHEMBL4562150 0.86 KMT2A (0.40) TOP1RAB9AKMT2AMEN1NPC1
SCHEMBL15336000 0.85 TOP1 (0.33) TOP1RAB9AKMT2AMEN1NPC1
SCHEMBL5944241 0.85 PRKCQ (0.35) TOP1KMT2AMEN1MAPTLMNA
SCHEMBL4561387 0.84 TOP1 (0.35) TOP1RAB9AKMT2AMEN1NPC1
SCHEMBL17248230 0.82 LMNA (0.42) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL10027563 0.81 MEN1 (0.46) RAB9AKMT2AMEN1COMTLMNA
SCHEMBL4561407 0.81 KDM4E (0.39) RAB9AKMT2AMEN1NPC1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9543526-B2 Nitrogen-containing aromatic compounds and organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-01-10 — — US disclosed
US-9543526-B2 Nitrogen-containing aromatic compounds and organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-01-10 — — US disclosed
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