SCHEMBL23770660

SCHEMBL23770660

CCCOc1ccccc1-c1nc(NSc2cccc(N3CCCC(C)(C(=O)O)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.33
TTR P02766 2/20 0.32
EIF2AK4 Q9P2K8 1/20 0.32
TRPV1 Q8NER1 2/20 0.31
DRD2 P14416 1/20 0.30
SLC6A9 P48067 1/20 0.30
PPARG P37231 1/20 0.30
RBP4 P02753 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
SCHEMBL19970202 1.00 BTK (0.33) BTKTTREIF2AK4TRPV1DRD2
SCHEMBL19970197 0.94 BTK (0.34) BTKTTREIF2AK4
SCHEMBL19970145 0.91 BTK (0.33) BTKTTREIF2AK4
SCHEMBL19970136 0.91 BTK (0.33) BTKTTREIF2AK4
SCHEMBL19970137 0.89 BTK (0.34) BTKEIF2AK4
SCHEMBL19970208 0.89 BTK (0.34) BTKEIF2AK4
SCHEMBL19970085 0.88 BTK (0.33) BTKEIF2AK4
SCHEMBL19970084 0.88 BTK (0.33) BTKEIF2AK4
SCHEMBL23770792 0.87 EPHX2 (0.34) BTKEIF2AK4
SCHEMBL23770875 0.86 BTK (0.34) BTKEIF2AK4PPARG

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