SCHEMBL11425994

SCHEMBL11425994

Cc1ccc(C(=O)Nc2cc(O)cc3cc(S(=O)(=O)O)ccc23)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ POLB P06746 3/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ HPGD P15428 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 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
▸ 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
SCHEMBL11437188 0.93 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11423148 0.92 POLB (0.51) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11422986 0.86 MEN1 (0.56) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11425435 0.85 POLB (0.50) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11431309 0.85 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11424230 0.84 MEN1 (0.55) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11426327 0.84 CASP6 (0.48) SMN1; SMN2MEN1KMT2ARAB9ACTDSP1
SCHEMBL11426443 0.84 MAPT (0.55) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11436275 0.84 CTDSP1 (0.62) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11434508 0.82 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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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