SCHEMBL18915033

SCHEMBL18915033

NCc1c(Nc2ccccc2)ccc([N+](=O)[O-])c1-c1cccc2ccc3ccccc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ AKR1C4 P17516 3/20 0.40
▸ AKR1C3 P42330 3/20 0.40
▸ AKR1C2 P52895 3/20 0.40
▸ AKR1C1 Q04828 3/20 0.40
▸ AR P10275 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MYC P01106 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ FBP1 P09467 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HCAR3 P49019 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL18915044 0.72 HPRT1 (0.42) TDP1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL18915036 0.69 L3MBTL1 (0.42) TDP1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL12047547 0.67 TSHR (0.54) TDP1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL17998719 0.67 ALDH1A1 (0.59) TDP1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL9325996 0.67 AKR1C4 (0.70) TDP1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL31219526 0.67 ALDH1A1 (0.59) TDP1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL16218717 0.66 ALDH1A1 (0.46) TDP1MAPTPOLBALDH1A1MEN1
SCHEMBL18914938 0.65 TDP1 (0.45) TDP1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL4535842 0.65 ALDH1A1 (0.71) TDP1MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL29458820 0.65 ALDH1A1 (0.71) TDP1MAPTPOLBALDH1A1MAPK1

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-2017090901-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-06-01 — — WO disclosed
Send feedback