SCHEMBL11425172

SCHEMBL11425172

Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c(S(=O)(=O)O)cc(O)cc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.47
▸ SIRT6 Q8N6T7 1/20 0.45
▸ USP2 O75604 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SLC5A1 P13866 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39

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
SCHEMBL11422006 0.92 KCNMA1 (0.49) KCNMA1USP2CRHBPCRHR2SMN1; SMN2
SCHEMBL11425400 0.87 KCNMA1 (0.47) KCNMA1USP2SMN1; SMN2MAPTMEN1
SCHEMBL11430247 0.86 KCNMA1 (0.47) KCNMA1SIRT6USP2CRHBPCRHR2
SCHEMBL11430401 0.86 KCNMA1 (0.51) KCNMA1SIRT6CRHBPCRHR2SMN1; SMN2
SCHEMBL11425946 0.85 RAB9A (0.43) SMN1; SMN2MAPTMEN1LMNAKMT2A
SCHEMBL11425185 0.85 KCNMA1 (0.46) KCNMA1SIRT6CRHBPCRHR2SMN1; SMN2
SCHEMBL11433946 0.84 KCNMA1 (0.52) KCNMA1SIRT6USP2CRHBPCRHR2
SCHEMBL11424281 0.84 KCNMA1 (0.49) KCNMA1SIRT6USP2CRHBPCRHR2
SCHEMBL11433794 0.84 KCNMA1 (0.49) KCNMA1SIRT6USP2CRHBPCRHR2
SCHEMBL11425170 0.84 MAPT (0.53) SMN1; SMN2MAPTMEN1LMNAKMT2A

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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