SCHEMBL7984258

SCHEMBL7984258

O=C(O)Cc1ccc(O[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.45
CYP1A2 P05177 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.42
NFKB1 P19838 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 5/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.41
RGS12 O14924 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
APEX1 P27695 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL2976612 0.85 GAA (0.60) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2976618 0.85 GAA (0.60) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9521629 0.82 ALDH1A1 (0.47) GAACYP1A2MEN1KMT2AALDH1A1
SCHEMBL6990630 0.82 LMNA (0.58) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6464717 0.81 PDE4A (0.47) GAACYP1A2MEN1KMT2AALDH1A1
SCHEMBL6464728 0.81 PDE4A (0.47) GAACYP1A2MEN1KMT2AALDH1A1
SCHEMBL1865824 0.80 CASP6 (0.55) GAACYP1A2MEN1KMT2AALDH1A1
SCHEMBL10410167 0.80 CTSV (0.59) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL11680950 0.79 MEN1 (0.45) GAACYP1A2MEN1KMT2AALDH1A1
SCHEMBL11680122 0.79 MEN1 (0.51) GAAMEN1KMT2AALDH1A1SMN1; SMN2

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-2001055139-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed