SCHEMBL28476205

SCHEMBL28476205

O=c1[nH]c2cc(Cl)c(Cl)cc2nc1C=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.53
▸ KMT2A Q03164 9/20 0.53
▸ LMNA P02545 5/20 0.53
▸ MAPT P10636 11/20 0.52
▸ RAB9A P51151 10/20 0.52
▸ NPC1 O15118 9/20 0.52
▸ HTT P42858 5/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GALK1 P51570 1/20 0.43
▸ NPBWR1 P48145 5/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ MMP13 P45452 1/20 0.42

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
SCHEMBL28473184 0.85 NPC1 (0.69) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL28470610 0.83 NPC1 (0.55) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL6311016 0.83 NPC1 (0.66) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL6311013 0.83 NPC1 (0.66) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL28463762 0.83 NPC1 (0.55) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL28465009 0.82 NPC1 (0.68) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL28470091 0.81 RAB9A (0.53) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL28464006 0.80 NPC1 (0.52) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL28472852 0.80 NPC1 (0.52) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL28899811 0.80 NPC1 (0.52) MEN1KMT2ALMNAMAPTRAB9A

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
CN-111675665-A Styryl-containing quinoxalinone derivatives and preparation method thereof 南京大学 2020-09-18 — — CN disclosed
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