SCHEMBL11426443

SCHEMBL11426443

O=C(Nc1cc(O)cc2cc(S(=O)(=O)O)ccc12)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ NPC1 O15118 1/20 0.49
▸ CASP6 P55212 2/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ CD40 P25942 2/20 0.47
▸ CD40LG P29965 2/20 0.47
▸ ATM Q13315 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ ACHE P22303 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ ERO1A Q96HE7 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43

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
SCHEMBL11431125 0.92 MAPT (0.57) MAPTRAB9ANPC1CASP6CTDSP1
SCHEMBL11439509 0.88 RAB9A (0.55) MAPTRAB9ANPC1CTDSP1ALDH1A1
SCHEMBL11436204 0.85 CASP6 (0.65) MAPTRAB9ACASP6CTDSP1APEX1
SCHEMBL11431241 0.84 MAPT (0.55) MAPTRAB9ANPC1CASP6CTDSP1
SCHEMBL11425994 0.84 SMN1; SMN2 (0.56) MAPTRAB9ANPC1CTDSP1ALDH1A1
SCHEMBL11423148 0.84 POLB (0.51) MAPTRAB9ANPC1ALDH1A1HTT
SCHEMBL11436268 0.83 MAPT (0.57) MAPTRAB9ANPC1CD40CD40LG
SCHEMBL11425915 0.83 CASP6 (0.63) MAPTRAB9ANPC1CASP6CTDSP1
SCHEMBL11431595 0.82 CASP6 (0.71) MAPTRAB9ANPC1CASP6CTDSP1
SCHEMBL11430180 0.81 RAB9A (0.54) MAPTRAB9ANPC1CTDSP1APEX1

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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