SCHEMBL11436268

SCHEMBL11436268

O=C(Nc1cc(S(=O)(=O)O)cc2ccc(O)cc12)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ CD40 P25942 2/20 0.48
▸ CD40LG P29965 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ APEX1 P27695 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TRPV1 Q8NER1 2/20 0.45
▸ ATM Q13315 1/20 0.44
▸ ENPP2 Q13822 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ERO1A Q96HE7 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ AKR1C4 P17516 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42

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 0.91 MAPT (0.57) MAPTRAB9ACD40CD40LGNPC1
SCHEMBL11431303 0.88 RAB9A (0.54) MAPTRAB9ANPC1APEX1ALDH1A1
SCHEMBL11431309 0.84 SMN1; SMN2 (0.55) MAPTRAB9ANPC1ALDH1A1HTT
SCHEMBL11422993 0.84 POLB (0.50) MAPTRAB9ANPC1ALDH1A1HTT
SCHEMBL11427680 0.84 CASP6 (0.59) MAPTRAB9AAPEX1ALDH1A1TRPV1
SCHEMBL11425189 0.83 CD40 (0.53) MAPTRAB9ACD40CD40LGNPC1
SCHEMBL11426443 0.83 MAPT (0.55) MAPTRAB9ACD40CD40LGNPC1
SCHEMBL11431241 0.83 MAPT (0.55) MAPTRAB9ACD40CD40LGNPC1
SCHEMBL10905209 0.83 ENPP2 (0.51) APEX1TRPV1ENPP2CA1CA2
SCHEMBL11350067 0.83 TIMP3 (0.57) APEX1ALDH1A1TRPV1ENPP2MEN1

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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