SCHEMBL7824945

SCHEMBL7824945

COc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.82
MEN1 O00255 6/20 0.82
NPC1 O15118 6/20 0.81
RAB9A P51151 6/20 0.81
SMN1; SMN2 Q16637 4/20 0.81
TP53 P04637 4/20 0.79
ALDH1A1 P00352 2/20 0.79
PKM P14618 1/20 0.79
HPGD P15428 1/20 0.79
MAPK1 P28482 1/20 0.79
TSHR P16473 2/20 0.76
KDM4E B2RXH2 1/20 0.76
NFKB1 P19838 1/20 0.76
NFKB2 Q00653 1/20 0.76
RELA Q04206 1/20 0.76
KCNK3 O14649 1/20 0.72
KCNK9 Q9NPC2 1/20 0.72
AR P10275 1/20 0.69
RXFP1 Q9HBX9 1/20 0.68
PGR P06401 1/20 0.67

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
SCHEMBL5345650 0.90 KMT2A (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6802217 0.89 NPC1 (0.83) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5226157 0.89 NPC1 (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL23070447 0.88 RAB9A (0.81) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5333933 0.88 NPC1 (0.81) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL30949335 0.87 PGR (0.87) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5400469 0.87 AR (0.89) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12167724 0.87 AR (0.89) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8363735 0.87 NPC1 (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11732855 0.86 MEN1 (0.73) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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