SCHEMBL17609165

SCHEMBL17609165

O=[N+]([O-])c1ccc(Cl)c(C=Cc2nc3c(Cc4ccccc4)cccc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.47
▸ MAPT P10636 7/20 0.45
▸ HTT P42858 7/20 0.45
▸ LMNA P02545 6/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ PTK2B Q14289 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ HPGD P15428 3/20 0.42
▸ TNF P01375 1/20 0.42
▸ HSPA1A P0DMV8 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ SNCA P37840 1/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2D6 P10635 3/20 0.40

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
SCHEMBL17609264 0.84 MAPT (0.40) MAPTHTTLMNAMEN1KMT2A
SCHEMBL6117500 0.83 RAB9A (0.43) RIPK1MAPTHTTLMNAMEN1
SCHEMBL17609158 0.83 RAB9A (0.43) RIPK1MAPTHTTLMNAMEN1
SCHEMBL704508 0.79 RAB9A (0.62) MAPTHTTLMNAMEN1KMT2A
SCHEMBL704507 0.79 RAB9A (0.62) MAPTHTTLMNAMEN1KMT2A
SCHEMBL6116960 0.75 RAB9A (0.36) MAPTHTTLMNAMEN1KMT2A
SCHEMBL537590 0.72 MAPT (0.39) MAPTHTTLMNAMEN1KMT2A
SCHEMBL6203707 0.70 HSD17B10 (0.53) RIPK1MAPTHTTLMNAMEN1
SCHEMBL9307952 0.68 NPC1 (0.46) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL6309363 0.68 HSD17B10 (0.53) RIPK1MAPTHTTMEN1KMT2A

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-2016044636-A2 METHOD FOR PRODUCING BENZAZOLOQUINOLIUM (BQS) SALTS AND USING THE BIOLOGICAL ACTIVITY OF THE COMPOSITION SISTEMA UNIVERSITARIO ANA G. MENDEZ, INC. (US) 2016-03-24 — — WO disclosed
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