SCHEMBL11421978

SCHEMBL11421978

Cc1cc(C(=O)Nc2ccc(O)c3ccc(S(=O)(=O)O)cc23)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ GAA P10253 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ LMNA P02545 2/20 0.49
▸ KLF10 Q13118 1/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ MAPT P10636 6/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HPGD P15428 2/20 0.47
▸ ALPL P05186 1/20 0.46
▸ TSHR P16473 1/20 0.44
▸ TP53 P04637 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
SCHEMBL11425117 0.96 MEN1 (0.49) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL11430423 0.92 SMN1; SMN2 (0.60) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL11433792 0.90 MAPT (0.53) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL11434508 0.88 SMN1; SMN2 (0.60) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL11426600 0.85 POLB (0.52) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL11344033 0.85 HPSE (0.48) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL10908846 0.85 L3MBTL1 (0.44) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL11434136 0.84 POLB (0.51) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL11433118 0.84 CASP6 (0.47) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL11433673 0.84 HPGD (0.52) MEN1KMT2AGAAALDH1A1LMNA

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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