SCHEMBL18915036

SCHEMBL18915036

N=Cc1c(Nc2ccccc2)ccc([N+](=O)[O-])c1-c1cccc2c(Cl)cc3ccccc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ WNK1 Q9H4A3 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ AKR1C4 P17516 3/20 0.39
▸ AKR1C3 P42330 3/20 0.39
▸ AKR1C2 P52895 3/20 0.39
▸ AKR1C1 Q04828 3/20 0.39
▸ AR P10275 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HCAR3 P49019 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MYC P01106 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ CXCR2 P25025 1/20 0.35

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 0.82 HPRT1 (0.42) L3MBTL1WNK1TDP1MAPTPOLB
SCHEMBL18914938 0.76 TDP1 (0.45) L3MBTL1WNK1TDP1MAPTPOLB
SCHEMBL18915034 0.75 L3MBTL1 (0.38) L3MBTL1WNK1TDP1MAPTPOLB
SCHEMBL18915033 0.69 TDP1 (0.41) L3MBTL1WNK1TDP1MAPTPOLB
SCHEMBL10935013 0.64 L3MBTL1 (0.56) L3MBTL1WNK1TDP1MAPTPOLB
SCHEMBL9325996 0.64 AKR1C4 (0.70) L3MBTL1WNK1TDP1MAPTPOLB
SCHEMBL22779181 0.63 TDP1 (0.51) L3MBTL1WNK1TDP1MAPTPOLB
SCHEMBL8619524 0.63 L3MBTL1 (0.69) L3MBTL1WNK1TDP1MAPTPOLB
SCHEMBL3253899 0.62 L3MBTL1 (0.77) L3MBTL1WNK1TDP1MAPTPOLB
SCHEMBL11549542 0.62 L3MBTL1 (0.68) L3MBTL1WNK1TDP1MAPTPOLB

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
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