SCHEMBL29385190

SCHEMBL29385190

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ PKM P14618 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ TBXA2R P21731 8/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP19A1 P11511 2/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA3 P07451 1/20 0.47
▸ CA4 P22748 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
SCHEMBL22499569 1.00 MAPT (0.55) MAPTSMN1; SMN2LMNAMAPK1PKM
SCHEMBL22499511 0.95 TBXA2R (0.53) MAPTSMN1; SMN2LMNAMAPK1PKM
SCHEMBL29383984 0.95 TBXA2R (0.53) MAPTSMN1; SMN2LMNAMAPK1PKM
SCHEMBL22499485 0.95 TBXA2R (0.53) MAPTSMN1; SMN2LMNAMAPK1PKM
Hydrochloric Acid SCHEMBL10892672 0.86 SMN1; SMN2 (0.46) MAPTSMN1; SMN2LMNAMAPK1PKM
SCHEMBL22499562 0.86 MAPT (0.63) MAPTSMN1; SMN2LMNAMAPK1PKM
SCHEMBL29382007 0.86 MAPT (0.63) MAPTSMN1; SMN2LMNAMAPK1PKM
Hydrochloric Acid SCHEMBL10889762 0.85 SMN1; SMN2 (0.54) MAPTSMN1; SMN2LMNAMAPK1PKM
SCHEMBL22499584 0.85 CA12 (0.47) MAPTSMN1; SMN2LMNAPKMPOLB
SCHEMBL22499557 0.84 ALDH1A1 (0.56) MAPTSMN1; SMN2LMNAMAPK1PKM

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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