SCHEMBL7314645

SCHEMBL7314645

COC(=O)c1cccc(OCc2cccnc2)c1NCc1cccnc1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.46
MMP9 P14780 4/20 0.46
MMP13 P45452 4/20 0.46
ADAM17 P78536 3/20 0.46
NAMPT P43490 9/20 0.46
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL7318043 0.94 KEAP1 (0.46) MMP1MMP9MMP13ADAM17NAMPT
SCHEMBL7322032 0.87 MMP13 (0.40) MMP1MMP9MMP13ADAM17NAMPT
SCHEMBL7317521 0.84 MMP13 (0.41) MMP1MMP9MMP13ADAM17NAMPT
SCHEMBL7316579 0.83 KDM4E (0.44) MMP1MMP9MMP13ADAM17NAMPT
SCHEMBL7322262 0.83 LMNA (0.43) MMP1MMP9MMP13ADAM17NAMPT
SCHEMBL7316215 0.81 MMP13 (0.41) MMP1MMP9MMP13ADAM17NAMPT
SCHEMBL7313726 0.80 MMP1 (0.42) MMP1MMP9MMP13ADAM17SMN1; SMN2
SCHEMBL7320602 0.79 MMP9 (0.47) MMP1MMP9MMP13ADAM17
SCHEMBL7320885 0.78 MMP1 (0.44) MMP1MMP9MMP13ADAM17NAMPT
SCHEMBL7319136 0.77 SMN1; SMN2 (0.40) MMP1MMP9MMP13ADAM17NAMPT

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