SCHEMBL4554479

SCHEMBL4554479

NS(=O)(=O)c1cccc(-c2c[nH]nn2)c1-c1c[nH]nn1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 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
SCHEMBL2425155 0.85
SCHEMBL2425159 0.84 LRRK2 (0.42)
SCHEMBL6165261 0.76 ALDH1A1 (0.37)
Hydrochloric Acid SCHEMBL21412101 0.74 MAOA (0.37) STAT3
SCHEMBL1971156 0.73 ADORA2A (0.44)
SCHEMBL1485995 0.73 TTR (0.46)
SCHEMBL27691189 0.73 NPC1 (0.34)
SCHEMBL15412720 0.71 ALDH1A1 (0.46)
SCHEMBL5550059 0.71 GAA (0.33)
SCHEMBL10775549 0.70 STAT3 (0.81) STAT3

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-2129666-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY Siemens Medical Solutions USA, Inc. (US) 2009-12-09 EP claimed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 WO claimed