SCHEMBL6301737

SCHEMBL6301737

O=[N+]([O-])c1ccc(S(=O)(=O)[N]c2cncc(Cl)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA12 O43570 5/20 0.40
CA9 Q16790 5/20 0.40
CA14 Q9ULX7 5/20 0.40
CA3 P07451 3/20 0.40
CA4 P22748 3/20 0.40
CA6 P23280 3/20 0.40
CA5A P35218 3/20 0.40
CA7 P43166 3/20 0.40
CA13 Q8N1Q1 3/20 0.40
CA5B Q9Y2D0 3/20 0.40
MMP1 P03956 1/20 0.37

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
SCHEMBL6302282 0.83 F2 (0.44) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6301738 0.73 CA2 (0.49) SMN1; SMN2CA1CA2CA12CA9
SCHEMBL10494209 0.69 F2 (0.63) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL11387678 0.68 RAB9A (0.56) ALDH1A1LMNAMAPT
SCHEMBL10531766 0.67 F2 (0.67) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL17673 0.66 CA2 (0.61) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL4860669 0.66 ALDH1A1 (0.57) F2PRSS1PRSS2PRSS3ALDH1A1
Hydrochloric Acid SCHEMBL7567770 0.65 CA2 (0.59) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8065542 0.63 CDK2 (0.41) ALDH1A1LMNACDK2MAPT
SCHEMBL5653246 0.63 F2 (0.56) F2PRSS1PRSS2PRSS3ALDH1A1

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-6967205-B1 Compounds with antibacterial and antiparasitic properties NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-11-22 US disclosed