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SCHEMBL20940907

SCHEMBL20940907

c1ccc(-c2cccc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccc6c(c5)Oc5ccc7c(c5O6)-c5ccccc5C75c6ccccc6-c6ccccc65)c4)c3)c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ BRCA1 P38398 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PDK2 Q15119 1/20 0.30

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
SCHEMBL20940909 1.00 ALDH1A1 (0.31) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL20940935 0.99 ALDH1A1 (0.30) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL20941957 0.99 ALDH1A1 (0.30) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL20940926 0.99 ALDH1A1 (0.31) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL20940899 0.99 ALDH1A1 (0.31) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL20941942 0.98 ALDH1A1 (0.31) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL20941968 0.98 ALDH1A1 (0.31) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL20940366 0.97 ALDH1A1 (0.30) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL20941112 0.97 PDK2 (0.31) PDK2
SCHEMBL20941975 0.96 — —

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-2019078443-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 — — WO disclosed