SCHEMBL28101592

SCHEMBL28101592

CC(OCc1ccccc1)n1ncc(-c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ RCE1 Q9Y256 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ WDR5 P61964 1/20 0.34
▸ DAGLA Q9Y4D2 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ VCP P55072 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33

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
SCHEMBL11183619 0.82 KMT2A (0.39) L3MBTL1NPC1RAB9AALDH1A1HPGD
SCHEMBL14270969 0.76 KMT2A (0.42) L3MBTL1NPC1RAB9AALDH1A1HPGD
SCHEMBL30435192 0.73 KMT2A (0.40) L3MBTL1NPC1RAB9AALDH1A1LMNA
SCHEMBL30434788 0.73 KMT2A (0.40) L3MBTL1NPC1RAB9AALDH1A1LMNA
SCHEMBL3664669 0.70 MEN1 (0.38) L3MBTL1RAB9AALDH1A1LMNAHPGD
SCHEMBL20463639 0.69 RCE1 (0.49) ALDH1A1RCE1MAPTKMT2ATSHR
SCHEMBL5018878 0.69 RCE1 (0.49) ALDH1A1RCE1MAPTKMT2ATSHR
SCHEMBL30434613 0.68 NPC1 (0.35) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL14294672 0.68 CHRM2 (0.45) L3MBTL1NPC1RAB9AALDH1A1HPGD
SCHEMBL29009118 0.66 CYP19A1 (0.53) L3MBTL1NPC1RAB9AALDH1A1LMNA

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
CN-106008474-A N<2> selective enol ether substituted triazole derivatives and preparation method thereof 上海大学 2016-10-12 — — CN disclosed
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