SCHEMBL7823472

SCHEMBL7823472

O=C(O)C(Nc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.52
MMP9 P14780 2/20 0.52
MMP8 P22894 2/20 0.52
MMP14 P50281 2/20 0.52
CA12 O43570 1/20 0.52
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
FPR2 P25090 6/20 0.46
S1PR3 Q99500 1/20 0.46
LDHA P00338 1/20 0.44
FPR1 P21462 1/20 0.44
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CNR1 P21554 1/20 0.43
F13A1 P00488 1/20 0.42
LMNA P02545 1/20 0.42
TGM2 P21980 1/20 0.42

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
SCHEMBL11173338 0.80 CA1 (0.50) MMP2CA12MAOAMAOBMEN1
SCHEMBL5511994 0.79 CA12 (0.50) CA12MEN1KMT2ACA9LMNA
SCHEMBL3381061 0.79 FPR2 (0.51) MMP2MMP9MMP8MMP14CA12
SCHEMBL3972557 0.79 FPR2 (0.51) MMP2MMP9MMP8MMP14CA12
SCHEMBL5379371 0.78 MAPT (0.50) CA12MEN1KMT2ACA2CA9
SCHEMBL11184595 0.78 NPC1 (0.47) MMP2MMP9MMP8MMP14MEN1
SCHEMBL11178677 0.78 CA12 (0.52) MMP8CA12TGM2
SCHEMBL11411239 0.77 MMP2 (0.51) MMP2MMP9MMP8MMP14CA2
SCHEMBL11059129 0.76 FPR2 (0.66) MMP2MMP9MMP8MMP14CA12
SCHEMBL11205370 0.76 FPR2 (0.66) MMP2MMP9MMP8MMP14CA12

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