SCHEMBL6340501

SCHEMBL6340501

COC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)ccc([N+](=O)[O-])c1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MAPT P10636 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ SLC6A3 Q01959 2/20 0.49
▸ POLB P06746 2/20 0.47
▸ AR P10275 3/20 0.46
▸ PRKCZ Q05513 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ APP P05067 2/20 0.41
▸ FBP1 P09467 1/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL28439458 0.79 TDP1 (0.49) POLBARAPPFBP1RAB9A
SCHEMBL6624649 0.75 CA12 (0.53) MEN1KMT2AMAPTGAAHTT
SCHEMBL27826601 0.75 HTT (0.45) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL16862940 0.74 TDP1 (0.47) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL9488402 0.74 SLC6A3 (0.63) MEN1KMT2AMAPTGAAHTT
SCHEMBL3021443 0.73 POLB (0.73) MEN1KMT2AMAPTGAAHTT
SCHEMBL11398188 0.73 TDP1 (0.56) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL13712890 0.72 SLC6A3 (0.53) MEN1KMT2AMAPTGAAHTT
SCHEMBL29242434 0.72 MEN1 (0.62) MEN1KMT2AMAPTGAAHTT
SCHEMBL773633 0.72 TDP1 (0.59) MEN1KMT2AMAPTGAAHTT

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
US-6894174-B1 Water-soluble polyimides and methods of making and using same SHAYDA TECHNOLOGIES, INC. (US) 2005-05-17 — — US disclosed
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