SCHEMBL8534762

SCHEMBL8534762

CNc1c(C(CC(=O)O)c2ccccc2)cccc1S(=O)(=O)c1ccc(NC(=N)N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.39
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
MMP12 P39900 3/20 0.39
MMP13 P45452 3/20 0.39
MMP14 P50281 3/20 0.39
MMP3 P08254 2/20 0.39
ALB P02768 1/20 0.39
BCL2 P10415 2/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
HPN P05981 2/20 0.37
PLAU P00749 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ABCC9 O60706 5/20 0.36
ABCC8 Q09428 5/20 0.36
KCNJ11 Q14654 5/20 0.36
KCNJ8 Q15842 5/20 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
SCHEMBL8534198 0.78 LMNA (0.40) ITGB3MEN1KMT2ALMNACA12
SCHEMBL8532987 0.77 ITGB3 (0.38) ITGB3MEN1KMT2ALMNACA12
SCHEMBL7862025 0.72 TSHR (0.52) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL7862023 0.71 CA2 (0.39) HPNPLAUITGB3ITGA2BALDH1A1
SCHEMBL8534686 0.69 FEN1 (0.44) ITGB3MEN1KMT2ALMNACA12
SCHEMBL8532235 0.67 CA1 (0.40) ITGB3MEN1TSHRKMT2AALDH1A1
SCHEMBL8561074 0.67 NAMPT (0.50) MMP1MMP2MMP9MMP12MMP13
SCHEMBL2838666 0.67 KMT2A (0.48) MMP2MMP3HPNPLAUITGB3
SCHEMBL8431256 0.67 CASR (0.38) ITGB3ITGA2B
SCHEMBL8534236 0.67 CA1 (0.40) LMNACA12CA1CA2CA9

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-5773646-A INTEGRIN INHIBITORS G. D. SEARLE & CO. (US) 1998-06-30 US disclosed