SCHEMBL5692736

SCHEMBL5692736

Cc1cc(C)c(S(=O)(=O)Nc2n[c]cs2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
EDNRA P25101 2/20 0.44
TSHR P16473 3/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
EDNRB P24530 1/20 0.43
CYTH2 Q99418 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL4805590 0.73 LMNA (0.36) POLBALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL812692 0.70 CA1 (0.63) CA1CA2MMP1MMP2MMP9
SCHEMBL5692832 0.70 CA1 (0.48) CA1CA2TSHRGAAALDH1A1
SCHEMBL5391581 0.67 MEN1 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL3620944 0.66 GAA (0.53) CA1GAAPOLBALDH1A1MEN1
SCHEMBL8113065 0.65 TSHR (0.66) CA1CA2MMP1MMP2MMP9
SCHEMBL813077 0.65 CA1 (0.65) CA1CA2MMP1MMP2MMP9
SCHEMBL16295123 0.64 CA1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL812919 0.64 TSHR (0.70) CA1CA2TSHRGAAPOLB
SCHEMBL4281632 0.64 ALDH1A1 (0.54) CA1CA2MMP1MMP2MMP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638553-A1 NEW USE I BIOVITRUM AB (SE) 2006-03-29 EP claimed
WO-2004112784-A1 NEW USE I BIOVITRUM AB (SE) 2004-12-29 WO claimed