SCHEMBL7823892

SCHEMBL7823892

O=C(O)C1CCCCC1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.64
HTT P42858 4/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 2/20 0.56
MEN1 O00255 2/20 0.56
GRM4 Q14833 2/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 3/20 0.53
GLA P06280 1/20 0.53
GRK2 P25098 1/20 0.52
CASP6 P55212 1/20 0.52
CASP8 Q14790 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
APEX1 P27695 1/20 0.52

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
SCHEMBL8031444 0.84 MEN1 (0.56) HTTRAB9APOLBKMT2ASMN1; SMN2
SCHEMBL28799461 0.82 LMNA (0.58) HTTRAB9APOLBKMT2ASMN1; SMN2
SCHEMBL25877653 0.82 LMNA (0.60) HTTRAB9APOLBKMT2ASMN1; SMN2
SCHEMBL11311560 0.78 AR (0.62) HTTRAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL2853073 0.77 LMNA (0.73) HTTRAB9APOLBKMT2ASMN1; SMN2
SCHEMBL2853072 0.77 LMNA (0.73) HTTRAB9APOLBKMT2ASMN1; SMN2
SCHEMBL19420106 0.76 HTT (0.72) L3MBTL1HTTRAB9APOLBKMT2A
SCHEMBL7814995 0.74 HTT (0.71) L3MBTL1HTTRAB9APOLBKMT2A
SCHEMBL595214 0.73 RAB9A (0.67) L3MBTL1HTTRAB9APOLBKMT2A
SCHEMBL595212 0.73 RAB9A (0.67) L3MBTL1HTTRAB9APOLBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed