SCHEMBL28957306

SCHEMBL28957306

Cn1c(=O)c(-c2cc([N+](=O)[O-])ccc2N)nc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ RAB9A P51151 2/20 0.69
▸ HTT P42858 1/20 0.69
▸ CFTR P13569 7/20 0.68
▸ ALDH1A1 P00352 2/20 0.52
▸ PKM P14618 2/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NOD1 Q9Y239 1/20 0.44
▸ IDO1 P14902 1/20 0.43
▸ TDO2 P48775 1/20 0.43
▸ IDO2 Q6ZQW0 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL29478064 1.00 MAPT (0.69) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL19032095 0.81 CFTR (1.00) CFTR
SCHEMBL29478065 0.81 CFTR (1.00) CFTR
SCHEMBL19448879 0.81 MAPT (1.00) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL19032814 0.81 CFTR (0.73) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL29497994 0.81 CFTR (0.73) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL19046548 0.78 CFTR (0.85) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL19032808 0.78 CFTR (0.75) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL28362560 0.77 ALDH1A1 (0.62) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL19032864 0.76 CFTR (0.82) MAPTMEN1KMT2ARAB9AHTT

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-115710233-A Modulators of CFTR and methods of use thereof 加利福尼亚大学董事会 2023-02-24 — — CN disclosed
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