SCHEMBL29382007

SCHEMBL29382007

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.63
▸ PKM P14618 3/20 0.63
▸ POLB P06746 2/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ CYP19A1 P11511 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KAT2B Q92831 1/20 0.49
▸ RIPK1 Q13546 3/20 0.47
▸ CCNT1 O60563 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ HCAR3 P49019 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CISD1 Q9NZ45 1/20 0.45
▸ TBXA2R P21731 2/20 0.45
▸ HPGD P15428 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
SCHEMBL22499562 1.00 MAPT (0.63) MAPTPKMPOLBSMN1; SMN2LMNA
SCHEMBL22499593 0.95 MAPT (0.57) MAPTPKMPOLBSMN1; SMN2LMNA
SCHEMBL22499583 0.95 MAPT (0.57) MAPTPKMPOLBSMN1; SMN2LMNA
SCHEMBL29381645 0.95 MAPT (0.57) MAPTPKMPOLBSMN1; SMN2LMNA
SCHEMBL29384824 0.95 MAPT (0.57) MAPTPKMPOLBSMN1; SMN2LMNA
SCHEMBL13059466 0.86 MAPT (0.49) MAPTPKMPOLBSMN1; SMN2LMNA
SCHEMBL22499569 0.86 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2LMNA
SCHEMBL29385190 0.86 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL10890343 0.85 SMN1; SMN2 (0.64) MAPTPKMPOLBSMN1; SMN2LMNA
SCHEMBL22499557 0.85 ALDH1A1 (0.56) MAPTPKMPOLBSMN1; SMN2LMNA

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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