SCHEMBL7659136

SCHEMBL7659136

O=C(O)C1c2occc2CCN1S(=O)(=O)c1ccc(Oc2ccc(-n3cc(Cl)cn3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 7/20 0.40
MMP9 P14780 9/20 0.37
MMP8 P22894 7/20 0.37
MMP2 P08253 7/20 0.37
MMP14 P50281 6/20 0.37
MMP1 P03956 8/20 0.37
MMP15 P51511 5/20 0.37
MMP16 P51512 5/20 0.37
MMP26 Q9NRE1 5/20 0.37
MMP3 P08254 6/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35

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
SCHEMBL7658139 0.85 LMNA (0.39) MMP12MMP9MMP8MMP2MMP14
SCHEMBL7657460 0.85 LMNA (0.39) MMP12MMP9MMP8MMP2MMP14
SCHEMBL7659859 0.83 LMNA (0.39) MMP12MMP9MMP8MMP2MMP14
SCHEMBL7658123 0.82 LMNA (0.42) MMP12MMP9MMP8MMP2MMP14
SCHEMBL7659469 0.80 LMNA (0.39) MMP12MMP9MMP8MMP2MMP14
SCHEMBL7674837 0.80 MMP1 (0.40) MMP12MMP9MMP8MMP2MMP14
SCHEMBL7651141 0.80 MMP1 (0.40) MMP12MMP9MMP8MMP2MMP14
SCHEMBL7654948 0.80 MMP1 (0.38) MMP12MMP9MMP8MMP2MMP14
SCHEMBL7654894 0.79 LMNA (0.41) MMP12MMP9MMP8MMP2MMP14
SCHEMBL7658355 0.78 ESR1 (0.39) MMP1LMNASMN1; SMN2TSHRHTT

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