SCHEMBL29383984

SCHEMBL29383984

CCCCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 11/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ CYP19A1 P11511 2/20 0.52
▸ MAPT P10636 4/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PKM P14618 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HCAR3 P49019 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA3 P07451 1/20 0.44

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
SCHEMBL22499511 1.00 TBXA2R (0.53) TBXA2RSLC6A2SLC6A4DRD3CYP19A1
SCHEMBL22499485 1.00 TBXA2R (0.53) TBXA2RSLC6A2SLC6A4DRD3CYP19A1
SCHEMBL22499569 0.95 MAPT (0.55) TBXA2RSLC6A2SLC6A4DRD3CYP19A1
SCHEMBL29385190 0.95 MAPT (0.55) TBXA2RSLC6A2SLC6A4DRD3CYP19A1
SCHEMBL22499593 0.86 MAPT (0.57) TBXA2RSLC6A2SLC6A4DRD3CYP19A1
SCHEMBL29381645 0.86 MAPT (0.57) TBXA2RSLC6A2SLC6A4DRD3CYP19A1
SCHEMBL22499583 0.86 MAPT (0.57) TBXA2RSLC6A2SLC6A4DRD3CYP19A1
SCHEMBL29384824 0.86 MAPT (0.57) TBXA2RSLC6A2SLC6A4DRD3CYP19A1
SCHEMBL22499635 0.84 ALDH1A1 (0.53) TBXA2RSLC6A2SLC6A4DRD3CYP19A1
SCHEMBL22499540 0.84 ALDH1A1 (0.53) TBXA2RSLC6A2SLC6A4DRD3CYP19A1

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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