SCHEMBL5316606

SCHEMBL5316606

CCc1cnc(N2CCN(S(=O)(=O)CC34CCC(CC3=O)C4(C)C)CC2)nc1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 13/20 0.80
L3MBTL1 Q9Y468 1/20 0.72
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 2/20 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
SCHEMBL29040265 0.82 SMN1; SMN2 (0.82) CXCR3L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL11623286 0.82 SMN1; SMN2 (0.82) CXCR3L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL5316605 0.80 CXCR3 (0.52) CXCR3L3MBTL1MEN1KMT2A
SCHEMBL14465748 0.78 CXCR3 (0.79) CXCR3L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL6667166 0.78 SMN1; SMN2 (0.79) CXCR3L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL7756182 0.78 SMN1; SMN2 (0.79) CXCR3L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL14465683 0.78 CXCR3 (0.80) CXCR3L3MBTL1MEN1KMT2A
SCHEMBL14465752 0.78 CXCR3 (0.49) CXCR3L3MBTL1
SCHEMBL7279111 0.76 MEN1 (1.00) CXCR3L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL23921194 0.76 CXCR3 (1.00) CXCR3

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 claimed