SCHEMBL23770669

SCHEMBL23770669

Fc1ccc(-c2nc(NSc3cccc(N4CCNCC4)n3)ccc2Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.40
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
BPTF Q12830 1/20 0.38
HTR2C P28335 5/20 0.35
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
PTPN11 Q06124 1/20 0.34
MAPK14 Q16539 3/20 0.34
KCNH2 Q12809 1/20 0.34
SCN9A Q15858 1/20 0.34
PIM1 P11309 2/20 0.33
HTR1A P08908 2/20 0.32
HTR1D P28221 2/20 0.32
HTR2A P28223 2/20 0.32
HTR7 P34969 2/20 0.32
HTR2B P41595 2/20 0.32

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
SCHEMBL23770632 0.90 ADRB2 (0.42) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL23770808 0.90 HTR3E (0.38) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL23770819 0.86 HTR3A (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL23770724 0.85 MAP4K1 (0.34) CCNT1CDK9MAPK14SCN9A
SCHEMBL23770455 0.85 CCNT1 (0.32) CCNT1CDK9MAPK14SCN9A
SCHEMBL23770731 0.84 HTR3A (0.40) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL23770862 0.83 HTR3E (0.42) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL23770868 0.83 PTPN11 (0.37) PTPN11KCNH2HTR1A
SCHEMBL23770661 0.81 HTR3A (0.39) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL23770475 0.80 L3MBTL1 (0.39) ALDH1A1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed