SCHEMBL28761685

SCHEMBL28761685

Cc1ccc(S(=O)(=O)NC(N)CCCC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.55
SLC1A2 P43004 1/20 0.55
SLC1A1 P43005 1/20 0.55
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CA9 Q16790 3/20 0.48
CA12 O43570 2/20 0.48
CA2 P00918 2/20 0.48
MMP9 P14780 3/20 0.47
MMP13 P45452 2/20 0.47
MMP2 P08253 2/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
TBXAS1 P24557 2/20 0.47
MMP8 P22894 1/20 0.46
ADAMTS4 O75173 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
Hydrochloric Acid SCHEMBL8567011 0.92 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ALDH1A1NPSR1
SCHEMBL6250115 0.82 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1ALDH1A1NPSR1
SCHEMBL2896564 0.79 CA2 (0.69) SLC1A3SLC1A2SLC1A1ALDH1A1NPSR1
SCHEMBL697840 0.77 MMP9 (0.74) SLC1A3SLC1A2SLC1A1MMP9MMP13
SCHEMBL255603 0.77 MMP9 (0.74) SLC1A3SLC1A2SLC1A1MMP9MMP13
SCHEMBL5182861 0.77 MMP9 (0.74) SLC1A3SLC1A2SLC1A1MMP9MMP13
Water SCHEMBL30893957 0.76 MMP9 (0.72) SLC1A3SLC1A2SLC1A1MMP9MMP13
SCHEMBL28937664 0.76 MMP9 (0.72) SLC1A3SLC1A2SLC1A1MMP9MMP13
SCHEMBL29186820 0.76 MMP9 (0.72) SLC1A3SLC1A2SLC1A1MMP9MMP13
Hydrochloric Acid SCHEMBL6422712 0.76 KMT2A (0.49) ALDH1A1MMP9MMP13KMT2AMMP8

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
CN-1882560-A Heterocyclic compounds and methods of making and using the same REDDY US THERAPEUTICS INC (US) 2006-12-20 CN disclosed