SCHEMBL11425199

SCHEMBL11425199

Cc1ccc([N+](=O)[O-])c(C(=O)Nc2c(O)ccc3cccc(S(=O)(=O)O)c23)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CD40 P25942 1/20 0.39
▸ CD40LG P29965 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ SLC5A1 P13866 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 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
SCHEMBL11430359 0.92 KCNMA1 (0.46) KCNMA1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11431862 0.88 KCNMA1 (0.46) KCNMA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL11423171 0.86 KCNMA1 (0.48) KCNMA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL11425892 0.86 GRM5 (0.41) KCNMA1KMT2AMEN1SMN1; SMN2CD40
SCHEMBL11433711 0.85 KCNMA1 (0.44) KCNMA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL11425195 0.84 MAPT (0.50) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL11433946 0.83 KCNMA1 (0.52) KCNMA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL11424309 0.82 KCNMA1 (0.46) KCNMA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL11422144 0.82 KCNMA1 (0.48) KCNMA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL11430356 0.82 MEN1 (0.54) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2

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-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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