SCHEMBL29382037

SCHEMBL29382037

CCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ PDE2A O00408 1/20 0.56
▸ PDE5A O76074 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ PDE4A P27815 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ PDE1B Q01064 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ PDE4B Q07343 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ PDE7A Q13946 1/20 0.56
▸ PDE1C Q14123 1/20 0.56
▸ PDE7B Q9NP56 1/20 0.56
▸ MAPT P10636 6/20 0.54
▸ LMNA P02545 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MAPK1 P28482 1/20 0.54

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
SCHEMBL22499557 1.00 ALDH1A1 (0.56) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL22499540 0.95 ALDH1A1 (0.53) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL22499635 0.95 ALDH1A1 (0.53) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL29381969 0.95 ALDH1A1 (0.53) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL24506847 0.85 ALDH1A1 (0.56) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL29384364 0.85 ALDH1A1 (0.56) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL22499562 0.85 MAPT (0.63) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL29382007 0.85 MAPT (0.63) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL22499569 0.84 MAPT (0.55) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL29385190 0.84 MAPT (0.55) ALDH1A1MAPTLMNASMN1; SMN2MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174259-A Modulators of intracellular chloride concentration 意大利学院科技基金会 2022-03-11 — — CN claimed
EP-3947345-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION Fondazione Istituto Italiano di Tecnologia (IT) 2022-02-09 — — EP claimed
CN-114174259-A Modulators of intracellular chloride concentration 意大利学院科技基金会 2022-03-11 — — CN disclosed
EP-3947345-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION Fondazione Istituto Italiano di Tecnologia (IT) 2022-02-09 — — EP disclosed
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