SCHEMBL23248481

SCHEMBL23248481

Cc1c([N+](=O)[O-])cnn1C(F)F.Cc1n[nH]cc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL26120935 0.87 POLB (0.40) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL266568 0.77
SCHEMBL29173368 0.75 POLB (0.38) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL23248567 0.73 MEN1 (0.33) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL26120909 0.73 POLB (0.41) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL20555337 0.71 POLB (0.38) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL20555449 0.70 ALDH1A1 (0.35) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL20555350 0.70 POLB (0.42) POLBL3MBTL1ALDH1A1MEN1KMT2A
Acetonitrile SCHEMBL28826009 0.70 KDM4E (0.37) ALDH1A1LMNA
SCHEMBL27439921 0.69 ALDH1A1 (0.40) POLBL3MBTL1ALDH1A1MEN1KMT2A

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-2021075476-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 2021-04-22 WO disclosed