SCHEMBL29384824

SCHEMBL29384824

CCCCCCCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ CYP19A1 P11511 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ TBXA2R P21731 8/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ CISD1 Q9NZ45 5/20 0.47
▸ HCAR3 P49019 1/20 0.47
▸ KAT2B Q92831 1/20 0.47

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
SCHEMBL22499583 1.00 MAPT (0.57) MAPTPOLBPKMCYP19A1SMN1; SMN2
SCHEMBL22499593 1.00 MAPT (0.57) MAPTPOLBPKMCYP19A1SMN1; SMN2
SCHEMBL29381645 1.00 MAPT (0.57) MAPTPOLBPKMCYP19A1SMN1; SMN2
SCHEMBL22499562 0.95 MAPT (0.63) MAPTPOLBPKMCYP19A1SMN1; SMN2
SCHEMBL29382007 0.95 MAPT (0.63) MAPTPOLBPKMCYP19A1SMN1; SMN2
SCHEMBL22499511 0.86 TBXA2R (0.53) MAPTPOLBPKMCYP19A1SMN1; SMN2
SCHEMBL22499485 0.86 TBXA2R (0.53) MAPTPOLBPKMCYP19A1SMN1; SMN2
SCHEMBL29383984 0.86 TBXA2R (0.53) MAPTPOLBPKMCYP19A1SMN1; SMN2
SCHEMBL22499635 0.85 ALDH1A1 (0.53) MAPTPOLBPKMCYP19A1SMN1; SMN2
SCHEMBL22499540 0.85 ALDH1A1 (0.53) MAPTPOLBPKMCYP19A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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