SCHEMBL4347387

SCHEMBL4347387

O=C(CNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 12/20 0.48
MMP3 P08254 7/20 0.48
RORC P51449 1/20 0.43
MCL1 Q07820 1/20 0.42
PTGER3 P43115 1/20 0.42
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL4031469 0.86 MMP8 (0.50) MMP8MMP3RORCATMPOLB
SCHEMBL4036169 0.85 MMP8 (0.48) MMP8MMP3RORCMCL1PTGER3
SCHEMBL929394 0.85 RORC (0.43) MMP8MMP3RORCPTGER3
SCHEMBL4845158 0.82 MMP8 (0.58) MMP8MMP3MCL1POLB
SCHEMBL1043997 0.81 MMP8 (0.45) MMP8MMP3RORCMCL1PTGER3
SCHEMBL4840536 0.81 MMP8 (0.45) MMP8MMP3RORCMCL1PTGER3
SCHEMBL4843338 0.80 LMNA (0.46) MMP8MMP3RORCATMPOLB
SCHEMBL4840519 0.80 MMP8 (0.44) MMP8MMP3RORCMCL1PTGER3
SCHEMBL4035728 0.80 PSEN1 (0.51) MMP8MMP3POLB
SCHEMBL4843221 0.79 MMP8 (0.52) MMP8MMP3MCL1POLBMMP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed