SCHEMBL7824641

SCHEMBL7824641

Cc1c(Cl)cccc1NC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
TP53 P04637 1/20 0.55
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 2/20 0.51
USP2 O75604 1/20 0.51
MT-CO2 P00403 1/20 0.51
TTR P02766 1/20 0.51
PLA2G1B P04054 1/20 0.51
CYP1A2 P05177 1/20 0.51
PGR P06401 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
AR P10275 1/20 0.51
CYP2C9 P11712 1/20 0.51
HTR2A P28223 1/20 0.51

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
SCHEMBL29360280 0.86 MEN1 (0.57) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL42567 0.86 MEN1 (0.57) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL7820722 0.84 CYP1A2 (0.57) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL7821493 0.82 HPGD (0.58) KMT2AALDH1A1LMNAMEN1HPGD
SCHEMBL7821756 0.81 POLB (0.64) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL2093177 0.79 MAPT (0.71) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL7825161 0.78 MAPT (0.68) MAPTKMT2AALDH1A1LMNAMEN1
Iodide SCHEMBL30758631 0.77 MAPT (0.84) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL7823201 0.76 TAS1R3 (0.55) TP53KMT2AALDH1A1LMNAMEN1
SCHEMBL8665346 0.75 ALDH1A1 (0.54) MAPTTP53KMT2AALDH1A1LMNA

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