SCHEMBL11422986

SCHEMBL11422986

Cc1ccc(C(=O)Nc2ccc3cc(S(=O)(=O)O)ccc3c2O)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ HPGD P15428 2/20 0.53
▸ POLB P06746 4/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 3/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.45

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
SCHEMBL11433364 0.93 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11434136 0.92 POLB (0.51) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11426438 0.86 MEN1 (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11425994 0.86 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11431789 0.85 HPGD (0.60) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11431309 0.85 SMN1; SMN2 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11423192 0.84 SMN1; SMN2 (0.67) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11426600 0.84 POLB (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11434508 0.84 SMN1; SMN2 (0.60) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11430423 0.84 SMN1; SMN2 (0.60) 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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