SCHEMBL6151579

SCHEMBL6151579

CCCCNS(=O)(=O)c1ccc(N=Nc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.56
PRSS1 P07477 3/20 0.56
PRSS2 P07478 3/20 0.56
PRSS3 P35030 3/20 0.56
CA9 Q16790 5/20 0.54
CA12 O43570 4/20 0.54
CA2 P00918 4/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 5/20 0.47
TSHR P16473 3/20 0.47
ALOX15 P16050 2/20 0.47
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL7704003 0.88 F2 (0.58) F2PRSS1PRSS2PRSS3CA9
Hydrochloric Acid SCHEMBL7701431 0.86 F2 (0.56) F2PRSS1PRSS2PRSS3CA9
SCHEMBL2770857 0.85 F2 (0.55) F2PRSS1PRSS2PRSS3CA9
SCHEMBL2770856 0.85 F2 (0.55) F2PRSS1PRSS2PRSS3CA9
SCHEMBL16345893 0.84 F2 (0.57) F2PRSS1PRSS2PRSS3CA9
SCHEMBL13056579 0.84 F2 (0.60) F2PRSS1PRSS2PRSS3CA9
SCHEMBL16345890 0.84 F2 (0.57) F2PRSS1PRSS2PRSS3CA9
SCHEMBL15482082 0.83 F2 (0.50) F2PRSS1PRSS2PRSS3CA9
SCHEMBL7699286 0.82 ALDH1A1 (0.54) F2PRSS1PRSS2PRSS3CA9
SCHEMBL7701432 0.82 ALDH1A1 (0.54) F2PRSS1PRSS2PRSS3CA9

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-1497303-A2 REAGENTS FOR MONITORING NUCLEI ACID AMPLIFICATION AND METHODS OF USING SAME Lawler, Joseph F. Jr. (US) 2005-01-19 EP disclosed
WO-2003089670-A2 REAGENTS FOR MONITORING NUCLEI ACID AMPLIFICATION AND METHODS OF USING SAME LAWLER JOSEPH F JR (US) 2003-10-30 WO disclosed