SCHEMBL7820971

SCHEMBL7820971

O=C(O)c1ccc(Cl)cc1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.55
SCN2A Q99250 2/20 0.54
PIM3 Q86V86 1/20 0.54
HIPK4 Q8NE63 1/20 0.54
APEX1 P27695 1/20 0.54
DNM2 P50570 1/20 0.53
MYC P01106 2/20 0.53
CA2 P00918 3/20 0.49
CA9 Q16790 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 4/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MITF O75030 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL8654996 0.89 ALDH1A1 (0.55) DNMT3ASCN2APIM3HIPK4APEX1
SCHEMBL30268190 0.87 DNM2 (0.48) DNMT3ASCN2APIM3HIPK4APEX1
SCHEMBL29549970 0.81 SCN2A (0.54) SCN2APIM3HIPK4APEX1CA2
SCHEMBL29549481 0.81 SCN2A (0.54) SCN2APIM3HIPK4APEX1DNM2
N-Phthaloylanthranilic Acid SCHEMBL29549628 0.80 APEX1 (0.71) SCN2APIM3HIPK4APEX1MYC
N-Phthaloylanthranilic Acid SCHEMBL481284 0.80 APEX1 (0.71) SCN2APIM3HIPK4APEX1MYC
SCHEMBL30268562 0.79 ALDH1A1 (0.48) DNMT3ASCN2APIM3HIPK4APEX1
SCHEMBL30268430 0.78 ALDH1A1 (0.45) DNMT3ASCN2APIM3HIPK4APEX1
SCHEMBL6708180 0.78 MEN1 (0.56) KMT2AMEN1CYP3A4NFKB1PMP22
SCHEMBL29550110 0.78 SCN2A (0.50) SCN2APIM3HIPK4APEX1CA2

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