SCHEMBL7825233

SCHEMBL7825233

O=C(O)c1sccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
LMNA P02545 3/20 0.50
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.48
CCR6 P51684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
PARP14 Q460N5 1/20 0.48
MEN1 O00255 1/20 0.48
TTR P02766 1/20 0.48
PPOX P50336 1/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MASP2 O00187 1/20 0.45
F2 P00734 1/20 0.45
ESRRA P11474 1/20 0.44
AKR1B1 P15121 1/20 0.44

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
SCHEMBL31719692 0.87 PARP14 (0.61) ESR2L3MBTL1MAPTTDP1LMNA
SCHEMBL10980033 0.82 MAPT (0.61) L3MBTL1MAPTTDP1LMNAKMT2A
SCHEMBL7821791 0.78 ESR2 (1.00) ESR2L3MBTL1MAPTTDP1KMT2A
SCHEMBL7508551 0.78 ESR2 (0.56) ESR2L3MBTL1TDP1LMNAKMT2A
SCHEMBL5539772 0.75 TTR (0.64) MAPTTDP1LMNAKMT2APOLB
SCHEMBL10786867 0.75 TDP1 (0.81) MAPTTDP1LMNAKMT2APOLB
SCHEMBL31090831 0.74 MAPT (0.60) MAPTTDP1LMNAKMT2APOLB
SCHEMBL10588184 0.74 MAPT (0.60) MAPTTDP1LMNAKMT2APOLB
SCHEMBL10662277 0.74 LMNA (0.61) MAPTTDP1LMNAKMT2APOLB
SCHEMBL31090851 0.74 LMNA (0.62) MAPTTDP1LMNAKMT2APOLB

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