SCHEMBL7659859

SCHEMBL7659859

O=C(O)C1c2occc2CCN1S(=O)(=O)c1ccc(Oc2ccc(-n3cnnc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MMP1 P03956 12/20 0.38
MMP9 P14780 8/20 0.38
MMP12 P39900 7/20 0.38
MMP2 P08253 7/20 0.38
MMP14 P50281 6/20 0.38
MMP15 P51511 6/20 0.38
MMP16 P51512 6/20 0.38
MMP26 Q9NRE1 6/20 0.38
MMP3 P08254 7/20 0.38
MMP8 P22894 4/20 0.38
MMP7 P09237 7/20 0.37
ADAM17 P78536 2/20 0.37
KMT2A Q03164 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
SCHEMBL7658123 0.90 LMNA (0.42) LMNASMN1; SMN2TSHRHTTALDH1A1
SCHEMBL7654948 0.89 MMP1 (0.38) LMNASMN1; SMN2TSHRHTTALDH1A1
SCHEMBL7652350 0.89 MMP8 (0.36) LMNATSHRHTTALDH1A1MMP1
SCHEMBL7661855 0.87 ESR1 (0.39) LMNASMN1; SMN2TSHRHTTALDH1A1
SCHEMBL7658355 0.87 ESR1 (0.39) LMNASMN1; SMN2TSHRHTTALDH1A1
SCHEMBL7657460 0.85 LMNA (0.39) LMNASMN1; SMN2TSHRHTTALDH1A1
SCHEMBL7674837 0.84 MMP1 (0.40) LMNASMN1; SMN2TSHRHTTALDH1A1
SCHEMBL7651141 0.84 MMP1 (0.40) LMNASMN1; SMN2TSHRHTTALDH1A1
SCHEMBL7658139 0.84 LMNA (0.39) LMNASMN1; SMN2TSHRHTTALDH1A1
SCHEMBL7659136 0.83 MMP12 (0.40) LMNASMN1; SMN2TSHRHTTALDH1A1

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