SCHEMBL7654894

SCHEMBL7654894

O=C(O)C1c2occc2CCN1S(=O)(=O)c1ccc(Oc2ccc(-c3ncccn3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
MMP1 P03956 10/20 0.40
MMP9 P14780 7/20 0.40
MMP12 P39900 5/20 0.40
MMP2 P08253 5/20 0.40
MMP7 P09237 5/20 0.40
MMP14 P50281 4/20 0.40
MMP15 P51511 4/20 0.40
MMP16 P51512 4/20 0.40
MMP26 Q9NRE1 4/20 0.40
MMP3 P08254 6/20 0.39
MMP8 P22894 4/20 0.39
ADAM17 P78536 2/20 0.38
TAS2R14 Q9NYV8 2/20 0.37
MMP13 P45452 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL7674837 0.89 MMP1 (0.40) LMNASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL7651141 0.89 MMP1 (0.40) LMNASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL7658849 0.86 LMNA (0.36) LMNASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL7659469 0.85 LMNA (0.39) LMNASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL7658123 0.83 LMNA (0.42) LMNASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL7658139 0.83 LMNA (0.39) LMNASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL7658355 0.83 ESR1 (0.39) LMNASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL7661855 0.83 ESR1 (0.39) LMNASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL7659859 0.82 LMNA (0.39) LMNASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL7654948 0.81 MMP1 (0.38) LMNASMN1; SMN2ALDH1A1TSHRHTT

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