SCHEMBL19456492

SCHEMBL19456492

COc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(OC)cc1/N=N/c1ccc(N(C)CCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP14 P50281 1/20 0.56
▸ ALDH1A1 P00352 7/20 0.52
▸ MAPT P10636 5/20 0.52
▸ POLB P06746 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TNNI3 P19429 1/20 0.43
▸ TNNT2 P45379 1/20 0.43
▸ TNNC1 P63316 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42

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
SCHEMBL30462193 0.90 ALDH1A1 (0.53) MMP14ALDH1A1MAPTPOLBGAA
SCHEMBL12548139 0.90 ALDH1A1 (0.53) MMP14ALDH1A1MAPTPOLBGAA
SCHEMBL12557559 0.90 ALDH1A1 (0.53) MMP14ALDH1A1MAPTPOLBGAA
SCHEMBL24554531 0.88 MMP14 (0.55) MMP14ALDH1A1MAPTPOLBGAA
SCHEMBL5355218 0.87 MAPT (0.50) MMP14ALDH1A1MAPTPOLBGAA
SCHEMBL25419498 0.87 MAPT (0.50) MMP14ALDH1A1MAPTPOLBGAA
SCHEMBL14516729 0.87 MAPT (0.50) MMP14ALDH1A1MAPTPOLBGAA
SCHEMBL28728125 0.87 MMP14 (0.70) MMP14ALDH1A1MAPTPOLBGAA
SCHEMBL9358069 0.87 MMP14 (0.70) MMP14ALDH1A1MAPTPOLBGAA
SCHEMBL9358077 0.87 MMP14 (0.70) MMP14ALDH1A1MAPTPOLBGAA

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-2017176477-A1 YANLI MATERIAL AND DIELECTRIC AND CAPACITOR THEREOF CAPACITOR SCIENCES INCORPORATED (US) 2017-10-12 — — WO disclosed
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