SCHEMBL7828529

SCHEMBL7828529

COc1ccc(NC(=O)Nc2cccc(C(=O)O)c2)c(OC)c1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.75
NPC1 O15118 4/20 0.75
MITF O75030 2/20 0.74
MAPT P10636 8/20 0.73
MEN1 O00255 6/20 0.73
KMT2A Q03164 6/20 0.73
PKM P14618 1/20 0.73
GAA P10253 1/20 0.62
ALDH1A1 P00352 1/20 0.62
TSHR P16473 2/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
LPAR1 Q92633 1/20 0.58
AKR1C3 P42330 1/20 0.57
AKR1C2 P52895 1/20 0.57
PAX8 Q06710 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL13754124 0.85 MAPT (0.66) RAB9ANPC1MITFMAPTMEN1
SCHEMBL7823196 0.81 NPC1 (0.70) RAB9ANPC1MITFMAPTMEN1
SCHEMBL4174639 0.80 NPC1 (0.74) RAB9ANPC1MITFMAPTMEN1
SCHEMBL6436238 0.79 RAB9A (0.73) RAB9ANPC1MITFMAPTMEN1
SCHEMBL6765010 0.79 MEN1 (0.60) RAB9ANPC1MITFMAPTMEN1
SCHEMBL21295391 0.78 MEN1 (0.63) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL30744020 0.78 MEN1 (0.63) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL6767742 0.78 MAPT (0.64) RAB9ANPC1MITFMAPTMEN1
SCHEMBL4749812 0.78 NPC1 (0.80) RAB9ANPC1MITFMEN1KMT2A
SCHEMBL8820811 0.77 SMN1; SMN2 (0.76) RAB9ANPC1MAPTMEN1KMT2A

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