SCHEMBL6001828

SCHEMBL6001828

Cn1c(OC(=O)Nc2ccccc2)cc2cc(NS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
BRPF1 P55201 4/20 0.39
BRD4 O60885 3/20 0.39
BRD1 O95696 3/20 0.39
BRD9 Q9H8M2 2/20 0.39
BRPF3 Q9ULD4 1/20 0.39
ECE1 P42892 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SRC P12931 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA2 P00918 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6001817 0.87 MAPK1 (0.43) SMN1; SMN2MAPK1BRPF1BRD4BRD1
SCHEMBL6001539 0.82 RXFP1 (0.57) SMN1; SMN2MAPK1NPC1ECE1MEN1
SCHEMBL6001987 0.80 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1BRPF1BRD4BRD1
SCHEMBL6000176 0.76 KDM4E (0.55) SMN1; SMN2MAPK1BRPF1BRD4BRD1
SCHEMBL6001777 0.74 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1NPC1BRD4CA2
SCHEMBL6002292 0.73 SERPINE1 (0.48) ECE1
SCHEMBL6000253 0.73 RXFP1 (0.48) SMN1; SMN2NPC1ECE1SRCMEN1
SCHEMBL6001714 0.71 MAPT (0.51) SMN1; SMN2MAPK1BRPF1RXFP1MAPT
SCHEMBL6002268 0.71 MAPK1 (0.38) SMN1; SMN2MAPK1ECE1CA2
SCHEMBL6002238 0.69 CACNA1B (0.40) SMN1; SMN2MAPK1BRPF1ECE1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP claimed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP claimed