SCHEMBL18620519

SCHEMBL18620519

O=[N+]([O-])c1cc(Cl)ccc1-c1cccc2c3c(oc12)CCC=C3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ MAPK1 P28482 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ RCOR1 Q9UKL0 1/20 0.34
▸ PDE7A Q13946 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL17227335 0.87 ALDH1A1 (0.41) RAB9ANPC1MAPTMAPK1LMNA
SCHEMBL20733733 0.81 ALOX5 (0.30) —
SCHEMBL15338070 0.81 GABRA1 (0.41) RAB9ANPC1MAPTMAPK1LMNA
SCHEMBL4554998 0.77 ALOX5 (0.49) RAB9ANPC1MAPTHPGDNFKB1
SCHEMBL10043648 0.76 ALDH1A1 (0.34) RAB9ANPC1LMNAALDH1A1MEN1
SCHEMBL25561307 0.74 MAPK1 (0.52) RAB9ANPC1MAPTHPGDNFKB1
SCHEMBL18619367 0.72 — —
SCHEMBL1755074 0.71 GABRA1 (0.37) RAB9ANPC1MAPTMAPK1LMNA
SCHEMBL21784249 0.70 PRKDC (0.39) NFKB1LMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL17035132 0.69 ALDH1A1 (0.53) RAB9ANPC1MAPTHPGDNFKB1

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-2017038728-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2017-03-09 — — WO disclosed
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