SCHEMBL11425436

SCHEMBL11425436

Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(O)ccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 3/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CASP6 P55212 1/20 0.38

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
SCHEMBL11423149 0.93 KCNMA1 (0.45) KCNMA1SIRT6ALDH1A1KMT2ASMN1; SMN2
SCHEMBL11437190 0.92 KCNMA1 (0.47) KCNMA1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL11422994 0.92 KCNMA1 (0.44) KCNMA1SIRT6ALDH1A1KMT2ASMN1; SMN2
SCHEMBL11433970 0.85 CASP6 (0.41) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL11425998 0.85 KCNMA1 (0.47) KCNMA1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL11425435 0.84 POLB (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL11431311 0.84 KCNMA1 (0.47) KCNMA1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL11590381 0.84 APEX1 (0.55) KCNMA1SIRT6ALDH1A1KMT2ASMN1; SMN2
SCHEMBL11434140 0.83 KCNMA1 (0.47) KCNMA1SIRT6ALDH1A1KMT2ASMN1; SMN2
SCHEMBL11438443 0.83 PRMT1 (0.56) KCNMA1ALDH1A1KMT2AMEN1MAPT

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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