SCHEMBL17227335

SCHEMBL17227335

O=[N+]([O-])c1ccccc1-c1cccc2c3c(oc12)CCC=C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 6/20 0.38
▸ MAPT P10636 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ F2 P00734 1/20 0.38
▸ C1R P00736 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36

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
SCHEMBL15338070 0.87 GABRA1 (0.41) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL18620519 0.87 RAB9A (0.36) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL10043648 0.84 ALDH1A1 (0.34) ALDH1A1LMNAKMT2AMEN1CYP3A4
SCHEMBL21784249 0.78 PRKDC (0.39) ALDH1A1LMNACYP3A4ALOX15HSD17B10
SCHEMBL16484950 0.77 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL29506802 0.74 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL782755 0.74 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL22005386 0.73 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL18619367 0.72 — —
SCHEMBL23652322 0.72 PRKDC (0.36) ALDH1A1LMNAMAPTTDP1CYP3A4

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
EP-2940097-A1 ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE INCLUDING SAME Cheil Industries Inc. (KR) 2015-11-04 — — EP disclosed
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