SCHEMBL7652350

SCHEMBL7652350

O=C(O)C1c2occc2CCN1S(=O)(=O)c1ccc(Sc2ccc(-n3cnnc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.36
MMP3 P08254 1/20 0.36
MMP1 P03956 11/20 0.35
MMP2 P08253 10/20 0.35
MMP9 P14780 10/20 0.35
MMP12 P39900 10/20 0.35
MMP14 P50281 10/20 0.35
MMP15 P51511 10/20 0.35
MMP16 P51512 10/20 0.35
MMP26 Q9NRE1 10/20 0.35
MMP7 P09237 7/20 0.34
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL7659207 0.89 CHRNA7 (0.36) MMP8MMP3MMP1MMP2MMP9
SCHEMBL7659859 0.89 LMNA (0.39) MMP8MMP3MMP1MMP2MMP9
Hydrochloric Acid SCHEMBL7654884 0.80 ADH5 (0.42) TSHR
SCHEMBL7654948 0.78 MMP1 (0.38) MMP8MMP3MMP1MMP2MMP9
SCHEMBL7658123 0.78 LMNA (0.42) MMP8MMP3MMP1MMP2MMP9
SCHEMBL7654862 0.77 MMP8 (0.43) MMP8MMP3MMP1MMP2MMP9
SCHEMBL7658355 0.76 ESR1 (0.39) MMP1LMNAHPGDALDH1A1HTT
SCHEMBL7661855 0.76 ESR1 (0.39) MMP1LMNAHPGDALDH1A1HTT
SCHEMBL7658085 0.75 MMP8 (0.43) MMP8MMP3MMP1MMP2MMP9
SCHEMBL7657460 0.75 LMNA (0.39) MMP8MMP3MMP1MMP2MMP9

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-6339092-B1 FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 2002-01-15 US disclosed