SCHEMBL7323700

SCHEMBL7323700

COc1ccc(S(=O)(=O)c2c(C)c(N)c(C)c(C)c2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.48
PKM P14618 2/20 0.47
GAA P10253 3/20 0.45
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
MMP2 P08253 6/20 0.44
MMP8 P22894 6/20 0.44
MMP12 P39900 6/20 0.44
MMP13 P45452 6/20 0.44
MMP14 P50281 6/20 0.44
MMP16 P51512 6/20 0.44
MMP9 P14780 5/20 0.43
MMP3 P08254 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MMP1 P03956 2/20 0.41
ADAM17 P78536 1/20 0.41

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
SCHEMBL7317781 0.88 RAPGEF4 (0.47) RAPGEF4PKMGAATP53LMNA
SCHEMBL7317729 0.86 RAPGEF4 (0.43) RAPGEF4PKMGAATP53LMNA
SCHEMBL7318226 0.86 MMP13 (0.53) RAPGEF4PKMGAATP53LMNA
SCHEMBL7311552 0.84 RAPGEF4 (0.41) RAPGEF4PKMGAATP53LMNA
SCHEMBL7322659 0.82 MMP2 (0.47) GAATP53MMP2MMP8MMP12
SCHEMBL7323861 0.81 MMP2 (0.41) RAPGEF4PKMGAATP53LMNA
SCHEMBL7323589 0.81 PTGS2 (0.41) RAPGEF4PKMGAATP53LMNA
Biphenyl SCHEMBL7320212 0.81 MMP2 (0.45) RAPGEF4GAATP53MMP2MMP8
SCHEMBL7316126 0.79 TAS2R14 (0.45) RAPGEF4GAATP53LMNAMMP2
SCHEMBL7315652 0.79 MMP2 (0.49) GAATP53MMP2MMP8MMP12

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
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed