SCHEMBL7319136

SCHEMBL7319136

CCc1cc(C)c(NCc2cccnc2S(=O)(=O)c2ccc(OC)cc2)c(C(=O)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
POLB P06746 2/20 0.40
MMP2 P08253 5/20 0.39
MMP12 P39900 5/20 0.39
MMP8 P22894 4/20 0.39
MMP13 P45452 4/20 0.39
MMP14 P50281 4/20 0.39
MMP16 P51512 4/20 0.39
MMP9 P14780 4/20 0.39
MMP1 P03956 3/20 0.39
MMP3 P08254 3/20 0.39
ADAM17 P78536 1/20 0.39
LMNA P02545 5/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 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
SCHEMBL7311850 0.94 KDM4E (0.42) SMN1; SMN2POLBMMP2MMP12MMP8
SCHEMBL7322248 0.92 MMP13 (0.43) MMP2MMP12MMP8MMP13MMP14
SCHEMBL7324047 0.92 GABRG2 (0.42) MMP2MMP12MMP8MMP13MMP14
SCHEMBL7317430 0.90 MMP9 (0.44) MMP2MMP12MMP8MMP13MMP14
SCHEMBL7322262 0.88 LMNA (0.43) SMN1; SMN2MMP2MMP12MMP8MMP13
SCHEMBL7320912 0.86 THRB (0.41) POLBMMP2MMP12MMP8MMP13
SCHEMBL7320885 0.86 MMP1 (0.44) MMP13MMP9MMP1ADAM17KDM4E
SCHEMBL7316602 0.85 MMP13 (0.43) MMP2MMP12MMP8MMP13MMP14
SCHEMBL7321948 0.85 MMP9 (0.41) MMP2MMP12MMP8MMP13MMP14
SCHEMBL7321871 0.85 MAPT (0.37) SMN1; SMN2POLBMMP2MMP12MMP8

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