SCHEMBL30458422

SCHEMBL30458422

O=C(C[N+](=O)[O-])Nc1cccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 2/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 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
SCHEMBL20302081 1.00 ALPL (0.45) ALPLALPIALPGMEN1KMT2A
SCHEMBL2187600 0.80 ALPL (0.49) ALPLALPIALPGMEN1KMT2A
SCHEMBL10472927 0.79 HTT (0.43) ALPLALPIALPGMEN1KMT2A
SCHEMBL2795240 0.77 ALDH1A1 (0.49) ALPLALPIALPGMEN1KMT2A
SCHEMBL30198155 0.76 NPC1 (0.53) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3949534 0.76 ALDH1A1 (0.51) ALPLALPIALPGMEN1KMT2A
SCHEMBL9185887 0.74 MEN1 (0.78) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL27136388 0.74 SMN1; SMN2 (0.51) ALPLALPIALPGMEN1KMT2A
SCHEMBL4633649 0.74 ALPL (0.47) ALPLALPIALPGMEN1KMT2A
SCHEMBL31046992 0.73 ALDH1A1 (0.52) ALPLALPIALPGMEN1KMT2A

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-110312712-B Nitrone herbicide FMC公司 2023-06-23 CN disclosed