SCHEMBL11434140

SCHEMBL11434140

Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3cc(S(=O)(=O)O)ccc3c2O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.47
▸ TDP1 Q9NUW8 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ ENPP2 Q13822 3/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.39
▸ HIF1A Q16665 1/20 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
SCHEMBL11426602 0.93 KCNMA1 (0.48) KCNMA1TDP1ALDH1A1HPGDCYP1A2
SCHEMBL11422990 0.92 KCNMA1 (0.50) KCNMA1TDP1ALDH1A1HPGDCYP1A2
SCHEMBL11438830 0.86 CYP2C9 (0.44) KCNMA1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11423149 0.86 KCNMA1 (0.45) KCNMA1TDP1ALDH1A1HPGDCYP1A2
SCHEMBL11423138 0.86 CYP1A2 (0.44) KCNMA1TDP1ALDH1A1HPGDCYP1A2
SCHEMBL11424281 0.85 KCNMA1 (0.49) KCNMA1TDP1ALDH1A1HPGDCYP1A2
SCHEMBL11422994 0.85 KCNMA1 (0.44) KCNMA1TDP1ALDH1A1HPGDCYP1A2
SCHEMBL11433368 0.84 KCNMA1 (0.51) KCNMA1TDP1ALDH1A1HPGDCYP1A2
SCHEMBL11426457 0.84 KCNMA1 (0.48) KCNMA1TDP1ALDH1A1HPGDCYP1A2
SCHEMBL11421980 0.84 KCNMA1 (0.51) KCNMA1TDP1ALDH1A1HPGDCYP1A2

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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