SCHEMBL11426438

SCHEMBL11426438

Cc1ccc(C(=O)Nc2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ POLB P06746 2/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 4/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ CYP1A2 P05177 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
SCHEMBL11426110 0.93 MEN1 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11423135 0.92 POLB (0.51) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11422986 0.86 MEN1 (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11437157 0.86 MEN1 (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11428748 0.85 NT5E (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11421985 0.85 MEN1 (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11424230 0.84 MEN1 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11430233 0.84 POLB (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11433072 0.84 CASP6 (0.48) CTDSP1ALDH1A1MAPTMAOAMAOB
SCHEMBL11442275 0.84 RAB9A (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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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