SCHEMBL8896563

SCHEMBL8896563

COCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
GAA P10253 1/20 0.48
KCNH2 Q12809 1/20 0.46
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.44
JMJD7 P0C870 1/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP19A1 P11511 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 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
SCHEMBL4428122 0.85 MEN1 (0.54) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL2999740 0.83 MAPT (0.57) MAPTGAAHTTJMJD7CA1
SCHEMBL3024109 0.82 ALDH1A1 (0.69) MAPTGAARAB9AALDH1A1SMN1; SMN2
SCHEMBL28546053 0.81 MAPT (0.47) MAPTGAAKCNH2HTTJMJD7
SCHEMBL26640734 0.80 HTT (0.48) MAPTGAAKCNH2ALDH1A1HTT
SCHEMBL10494766 0.80 MAPT (0.53) MAPTGAAHTTJMJD7CA1
SCHEMBL8890664 0.78 ALDH1A1 (0.46) MAPTGAARAB9AALDH1A1SMN1; SMN2
SCHEMBL17230502 0.78 CA12 (0.51) MAPTRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL25418076 0.78 CA1 (0.50) MAPTGAAKCNH2RAB9AALDH1A1
SCHEMBL3001018 0.78 CA1 (0.58) MAPTGAAALDH1A1HTTCA1

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-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO disclosed