SCHEMBL31469856

SCHEMBL31469856

[N-]=[N+]=NCc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.54
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
HCAR3 P49019 13/20 0.47
APEX1 P27695 1/20 0.47
PDK1 Q15118 1/20 0.44

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
SCHEMBL15861959 0.80 HTT (0.43) TSHRLMNA
SCHEMBL28046353 0.78 GRIA2 (0.35) TSHRPDK1
SCHEMBL6341472 0.77 CASP6 (0.66) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL20757 0.77 PDK1 (0.68) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL1483517 0.77 CASP6 (0.66) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL30481076 0.77 CASP6 (0.66) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL17512440 0.77 HCAR3 (0.62) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL29171033 0.76 KDM4E (0.41) TSHRAPEX1
SCHEMBL18624972 0.76 TSHR (0.40) TSHR
SCHEMBL40979 0.76 CASP6 (0.64) CASP6TSHRLMNAHCAR3APEX1

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
WO-2025076554-A1 TARGETED CELL PROFILING VIA IN SITU HYBRIDIZATION WITH MASS SPECTROMETRY DETECTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-04-10 WO disclosed