SCHEMBL11426602

SCHEMBL11426602

Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3ccc(S(=O)(=O)O)cc3c2O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.48
▸ TDP1 Q9NUW8 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ CRHBP P24387 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
SCHEMBL11434140 0.93 KCNMA1 (0.47) KCNMA1TDP1ALDH1A1HPGDSIRT6
SCHEMBL11433368 0.92 KCNMA1 (0.51) KCNMA1TDP1ALDH1A1HPGDNPC1
SCHEMBL11433105 0.86 PLG (0.42) KCNMA1ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL11421980 0.85 KCNMA1 (0.51) KCNMA1TDP1ALDH1A1HPGDSIRT6
SCHEMBL11425120 0.85 KCNMA1 (0.51) KCNMA1TDP1ALDH1A1HPGDSIRT6
SCHEMBL11430236 0.85 KCNMA1 (0.43) KCNMA1TDP1ALDH1A1HPGDSIRT6
SCHEMBL11422990 0.84 KCNMA1 (0.50) KCNMA1TDP1ALDH1A1HPGDNPC1
SCHEMBL11426600 0.83 POLB (0.52) TDP1ALDH1A1HPGDNPC1RAB9A
SCHEMBL11426457 0.83 KCNMA1 (0.48) KCNMA1TDP1ALDH1A1HPGDSIRT6
SCHEMBL11423149 0.82 KCNMA1 (0.45) KCNMA1TDP1ALDH1A1HPGDSIRT6

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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