SCHEMBL9705778

SCHEMBL9705778

Cc1cc(C)c(S(=O)(=O)O)c(C)c1.O=[N+]([O-])n1ccnn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
RAPGEF4 Q8WZA2 9/20 0.34
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL5860156 0.82 TSHR (0.41) LMNA
Potassium Ion SCHEMBL4796478 0.72
SCHEMBL7930818 0.72 CA1 (0.58) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL23788 0.72 CA1 (0.58) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL10846507 0.72 CA1 (0.58) ALDH1A1CA1CA2MMP1MMP2
Ammonia Solution, Strong SCHEMBL5999943 0.72 CA1 (0.58) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL9243736 0.70 CA1 (0.56) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL2549047 0.70 CA1 (0.56) ALDH1A1CA1CA2MMP1MMP2
Water SCHEMBL458685 0.70 CA1 (0.56) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL28505545 0.70 CA1 (0.56) ALDH1A1CA1CA2MMP1MMP2

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-0235301-B1 PYRIDOPYRIMIDINE NUCLEOTIDE DERIVATIVES TEIJIN LIMITED (JP) 1992-07-22 EP disclosed
US-4965350-A FLUORESCENT DETECTORS TEIJIN LIMITED (JP) 1990-10-23 US disclosed