SCHEMBL11426299

SCHEMBL11426299

Cc1ccc(C(=O)Nc2ccc3cc(S(=O)(=O)O)c(O)cc3c2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.45
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ TNF P01375 2/20 0.41
▸ NOD1 Q9Y239 2/20 0.41
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLA1 P09884 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ STAT3 P40763 1/20 0.40

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
SCHEMBL11432089 0.92 KCNMA1 (0.43) KCNMA1MEN1KMT2AMAPTALDH1A1
SCHEMBL11433703 0.86 TNF (0.48) KCNMA1MEN1KMT2AMAPTALDH1A1
SCHEMBL11428750 0.85 NT5E (0.55) KCNMA1MEN1KMT2AMAPTALDH1A1
SCHEMBL11421866 0.84 KCNMA1 (0.46) KCNMA1MEN1KMT2AMAPTALDH1A1
SCHEMBL11208452 0.84 NT5E (0.54) KCNMA1MEN1KMT2AMAPTALDH1A1
SCHEMBL11432113 0.84 MAPT (0.43) KCNMA1MEN1KMT2AMAPTALDH1A1
SCHEMBL11435637 0.83 NPC1 (0.45) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL11427501 0.83 NPC1 (0.45) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL11423194 0.82 KCNMA1 (0.51) KCNMA1MEN1KMT2AMAPTALDH1A1
SCHEMBL11437160 0.82 KCNMA1 (0.45) KCNMA1MEN1KMT2AMAPTALDH1A1

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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