SCHEMBL7654117

SCHEMBL7654117

O=C(O)C1c2occc2CCN1S(=O)(=O)c1ccc(Oc2ccc(-n3ccnc3)nc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
MMP1 P03956 9/20 0.34
MMP9 P14780 6/20 0.34
MMP2 P08253 5/20 0.34
MMP12 P39900 5/20 0.34
MMP14 P50281 4/20 0.34
MMP15 P51511 4/20 0.34
MMP16 P51512 4/20 0.34
MMP26 Q9NRE1 4/20 0.34
MMP7 P09237 4/20 0.34
ADAM17 P78536 3/20 0.34
NAMPT P43490 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MMP3 P08254 4/20 0.33
MMP8 P22894 3/20 0.33
MMP13 P45452 1/20 0.33
CA12 O43570 2/20 0.33

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
SCHEMBL7654948 0.89 MMP1 (0.38) LMNASMN1; SMN2TSHRHTTMMP1
SCHEMBL7658355 0.87 ESR1 (0.39) LMNASMN1; SMN2TSHRHTTMMP1
SCHEMBL7661855 0.87 ESR1 (0.39) LMNASMN1; SMN2TSHRHTTMMP1
SCHEMBL7651679 0.86 KDM4E (0.44) LMNATSHRMMP1MMP9MMP2
SCHEMBL7674837 0.81 MMP1 (0.40) LMNASMN1; SMN2TSHRHTTMMP1
SCHEMBL7651141 0.81 MMP1 (0.40) LMNASMN1; SMN2TSHRHTTMMP1
Hydrochloric Acid SCHEMBL7654884 0.81 ADH5 (0.42) TSHR
SCHEMBL7659859 0.80 LMNA (0.39) LMNASMN1; SMN2TSHRHTTMMP1
SCHEMBL7654894 0.80 LMNA (0.41) LMNASMN1; SMN2TSHRHTTMMP1
SCHEMBL7659469 0.80 LMNA (0.39) LMNASMN1; SMN2TSHRHTTMMP1

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