SCHEMBL23770475

SCHEMBL23770475

Clc1ccccc1-c1nc(NSc2cccc(N3CCC3)n2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 2/20 0.38
CNR2 P34972 8/20 0.34
CNR1 P21554 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ABCB1 P08183 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL23770650 0.87 PTPN11 (0.32) L3MBTL1MAOBCNR2CNR1MAPK1
SCHEMBL23770871 0.84 MEN1 (0.38) CNR1MEN1KMT2AMAPK1
SCHEMBL23770837 0.83 SMO (0.34) L3MBTL1CNR2CNR1MEN1KMT2A
SCHEMBL23770862 0.81 HTR3E (0.42) MEN1KMT2AMAPK1HTTKDM4E
SCHEMBL23770669 0.80 HTR3A (0.40) ALDH1A1MAPK14
SCHEMBL23770409 0.79 BACE1 (0.35) CNR2CNR1KMT2AMAPK1KDM4E
SCHEMBL23770819 0.79 HTR3A (0.41) ALDH1A1MAPK14
SCHEMBL23770731 0.77 HTR3A (0.40) ALDH1A1MAPK14
SCHEMBL23770724 0.76 MAP4K1 (0.34) MAPK13MAPK12MAPK11MAPK14
SCHEMBL23770739 0.76 CNR2 (0.38) CNR2MAPK1

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