SCHEMBL23770650

SCHEMBL23770650

Fc1cccc(-c2nc(NSc3cccc(N4CCC4)n3)ccc2Cl)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 8/20 0.32
CNR2 P34972 5/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
MAOB P27338 1/20 0.31
CNR1 P21554 3/20 0.31
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL23770819 0.91 HTR3A (0.41) PTPN11
SCHEMBL23770739 0.88 CNR2 (0.38) PTPN11CNR2MAPK3MAPK1
SCHEMBL23770475 0.87 L3MBTL1 (0.39) CNR2MAPK1MAOBCNR1L3MBTL1
SCHEMBL23770499 0.85 PTPN11 (0.36) PTPN11MAPK3MAPK1
SCHEMBL23770731 0.82 HTR3A (0.40) PTPN11NPC1
SCHEMBL23770606 0.80 ADRB2 (0.43) PTPN11CNR2MAPK3MAPK1
SCHEMBL23770837 0.80 SMO (0.34) CNR2CNR1L3MBTL1
SCHEMBL23770669 0.79 HTR3A (0.40) PTPN11
SCHEMBL23770850 0.78 LRRK2 (0.33)
SCHEMBL23770862 0.76 HTR3E (0.42) PTPN11MAPK1

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