SCHEMBL7823201

SCHEMBL7823201

O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
TAS1R2 Q8TE23 1/20 0.55
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTT P42858 2/20 0.50
GRIK1 P39086 1/20 0.49
P4HTM Q9NXG6 1/20 0.49
TP53 P04637 3/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7820722 0.84 CYP1A2 (0.57) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7821493 0.81 HPGD (0.58) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL11248349 0.81 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL42567 0.79 MEN1 (0.57) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29360280 0.79 MEN1 (0.57) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7827337 0.79 PDCD1 (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2761484 0.78 GAA (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12189441 0.77 L3MBTL1 (0.56) RAB9ASMN1; SMN2LMNAMAPK1ALDH1A1
SCHEMBL7824641 0.76 MAPT (0.63) SMN1; SMN2MEN1KMT2ATP53LMNA
SCHEMBL29429740 0.74 RAB9A (0.86) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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