SCHEMBL29110384

SCHEMBL29110384

O=c1c([N+](=O)[O-])c(O)c2ccc(C(F)(F)F)cc2n1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
MAT2A P31153 1/20 0.47
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
G6PD P11413 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TDP2 O95551 1/20 0.39
S100A4 P26447 2/20 0.38
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL30611302 1.00 HTT (0.48) HTTMAT2AKMT2ALMNAMEN1
SCHEMBL30611246 0.86 MAT2A (0.47) HTTMAT2AKMT2ALMNAMEN1
SCHEMBL29110318 0.86 MAT2A (0.47) HTTMAT2AKMT2ALMNAMEN1
SCHEMBL30611321 0.84 HTT (0.51) HTTMAT2AKMT2ALMNAMEN1
SCHEMBL29110311 0.84 HTT (0.51) HTTMAT2AKMT2ALMNAMEN1
SCHEMBL29110375 0.83 ALDH1A1 (0.49) HTTMAT2AKMT2ALMNAMEN1
SCHEMBL30611338 0.83 ALDH1A1 (0.49) HTTMAT2AKMT2ALMNAMEN1
SCHEMBL30611262 0.82 MEN1 (0.51) HTTMAT2AKMT2ALMNAMEN1
SCHEMBL27388968 0.82 MEN1 (0.51) HTTMAT2AKMT2ALMNAMEN1
SCHEMBL11453080 0.81 LMNA (0.65) HTTKMT2ALMNAMEN1PKM

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-116903613-A 2-oxo quinazoline five-membered heterocyclic derivative, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-10-20 CN disclosed