SCHEMBL14465748

SCHEMBL14465748

Bc1ccc(N2CCN(S(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)CC2)nc1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 14/20 0.79
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL14465675 0.86 CXCR3 (1.00) CXCR3
SCHEMBL14465853 0.86 CXCR3 (1.00) CXCR3
SCHEMBL23921194 0.86 CXCR3 (1.00) CXCR3
SCHEMBL14465851 0.83 CXCR3 (1.00) CXCR3
SCHEMBL29040265 0.81 SMN1; SMN2 (0.82) CXCR3MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL11623286 0.81 SMN1; SMN2 (0.82) CXCR3MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL14465685 0.80 CXCR3 (0.52) CXCR3MEN1KMT2AL3MBTL1
SCHEMBL14465849 0.79 CXCR3 (1.00) CXCR3MEN1KMT2AL3MBTL1
SCHEMBL5316606 0.78 CXCR3 (0.80) CXCR3MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL7279111 0.77 MEN1 (1.00) CXCR3MEN1KMT2AL3MBTL1SMN1; SMN2

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
WO-2007076318-A2 CAMPHOR-DERIVED CXCR3 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed