SCHEMBL11432113

SCHEMBL11432113

Cc1ccc(C(=O)Nc2ccc3cc(O)cc(S(=O)(=O)O)c3c2)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TNF P01375 1/20 0.43
▸ NOD1 Q9Y239 1/20 0.43
▸ KCNMA1 Q12791 2/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ ENPP2 Q13822 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ KLK1 P06870 1/20 0.39
▸ TDP1 Q9NUW8 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
SCHEMBL11425750 0.92 KMT2A (0.42) MAPTMEN1KMT2AALDH1A1TNF
SCHEMBL11433703 0.86 TNF (0.48) MAPTMEN1KMT2AALDH1A1TNF
SCHEMBL11428750 0.85 NT5E (0.55) MAPTMEN1KMT2AALDH1A1TNF
SCHEMBL11421866 0.84 KCNMA1 (0.46) MAPTMEN1KMT2AALDH1A1TNF
SCHEMBL11208452 0.84 NT5E (0.54) MAPTMEN1KMT2AALDH1A1TNF
SCHEMBL11426299 0.84 KCNMA1 (0.45) MAPTMEN1KMT2AALDH1A1TNF
SCHEMBL11441387 0.83 PLG (0.44) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL11440412 0.83 ENPP2 (0.43) MEN1KMT2ARAB9APOLBENPP2
SCHEMBL11425747 0.82 MAPT (0.55) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL11432108 0.82 MAPT (0.55) MAPTMEN1KMT2AALDH1A1RAB9A

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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