SCHEMBL22167182

SCHEMBL22167182

O=C(Nc1cccc(-c2nnn[nH]2)c1)Nc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.54
▸ ACHE P22303 1/20 0.49
▸ CNR1 P21554 11/20 0.47
▸ MAPT P10636 2/20 0.45
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ LTK P29376 1/20 0.44
▸ CSNK1A1 P48729 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ PRKX P51817 1/20 0.44
▸ NTRK3 Q16288 1/20 0.44
▸ NTRK2 Q16620 1/20 0.44
▸ TAOK1 Q7L7X3 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44

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
SCHEMBL9314587 0.90 MGLL (0.45) MGLLACHEMAPTMEN1ALDH1A1
SCHEMBL9573406 0.88 MAPT (0.43) MGLLMAPTMEN1ALDH1A1KMT2A
SCHEMBL6694019 0.88 MAPT (0.59) MAPTMEN1ALDH1A1KMT2A
SCHEMBL31125137 0.88 MAPT (0.59) MGLLACHECNR1MAPTPDGFRA
Acitazanolast SCHEMBL342549 0.87 GPR35 (0.54) MGLLMAPTMEN1ALDH1A1KMT2A
Acitazanolast SCHEMBL3116621 0.86 GPR35 (0.53) MGLLMAPTMEN1ALDH1A1KMT2A
SCHEMBL950001 0.85 CYP3A4 (0.60) MAPTMAP4K4MEN1ALDH1A1LMNA
SCHEMBL4554995 0.84 BRAF (0.61) CDK8AURKBRAF1
SCHEMBL8122897 0.83 KMT2A (0.57) CNR1MAPTMEN1ALDH1A1LMNA
SCHEMBL31680549 0.83 MMP2 (0.54) ACHEMAPTMEN1ALDH1A1KMT2A

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-2020137980-A1 ADHESIVE TAPE 積水化学工業株式会社 2020-07-02 — — WO disclosed
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