SCHEMBL7825843

SCHEMBL7825843

CN1C=CC(=CC=CC=Nc2ccc(C(=O)O)cc2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.39
CA1 P00915 4/20 0.39
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
MAPT P10636 4/20 0.36
POLB P06746 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL7830522 0.78 CTDSP1 (0.39) CA2KMT2AMEN1MAPTALDH1A1
SCHEMBL7830519 0.78 CTDSP1 (0.39) CA2KMT2AMEN1MAPTALDH1A1
SCHEMBL7826328 0.72 MAPT (0.46) CA2CA1KMT2AMEN1MAPT
SCHEMBL10625407 0.69 MAPT (0.46) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL10625415 0.69 MAPT (0.46) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL13669200 0.69 PRMT1 (0.42) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL5512417 0.66 MEN1 (0.35) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL10455465 0.65 CA2 (0.65) CA2CA1KMT2AMEN1MAPT
SCHEMBL10455464 0.65 CA2 (0.65) CA2CA1KMT2AMEN1MAPT
SCHEMBL12866258 0.64 XDH (0.43) KMT2AMEN1MAPTPOLBKDM4E

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