SCHEMBL11430403

SCHEMBL11430403

Cc1cc(C(=O)Nc2c(S(=O)(=O)O)ccc3c(O)cccc23)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.51
▸ KMT2A Q03164 8/20 0.51
▸ GAA P10253 1/20 0.51
▸ POLB P06746 2/20 0.47
▸ MAPT P10636 8/20 0.47
▸ TP53 P04637 1/20 0.47
▸ LMNA P02545 5/20 0.46
▸ HTT P42858 2/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ ALPL P05186 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KLF10 Q13118 1/20 0.43

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
SCHEMBL11423176 0.92 MEN1 (0.53) MEN1KMT2AGAAPOLBMAPT
SCHEMBL11422040 0.90 MEN1 (0.55) MEN1KMT2AGAAPOLBMAPT
SCHEMBL11433708 0.88 MEN1 (0.48) MEN1KMT2AGAAPOLBMAPT
SCHEMBL11430329 0.86 MEN1 (0.53) MEN1KMT2AGAAPOLBMAPT
SCHEMBL11431857 0.85 MAPT (0.50) MEN1KMT2AGAAPOLBMAPT
SCHEMBL11426564 0.84 HPGD (0.55) MEN1KMT2AGAAPOLBMAPT
SCHEMBL11430407 0.84 KCNMA1 (0.47) MEN1KMT2AGAAPOLBMAPT
SCHEMBL11433673 0.84 HPGD (0.52) MEN1KMT2AGAAPOLBMAPT
SCHEMBL11434200 0.84 MEN1 (0.56) MEN1KMT2AGAAPOLBMAPT
SCHEMBL11421988 0.83 KMT2A (0.55) MEN1KMT2APOLBMAPTRAB9A

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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