SCHEMBL6001817

SCHEMBL6001817

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRPF1 P55201 9/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.39
BRD4 O60885 2/20 0.39
BRD1 O95696 2/20 0.39
BRD9 Q9H8M2 1/20 0.39
BRPF3 Q9ULD4 1/20 0.39
HDAC8 Q9BY41 3/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CA2 P00918 3/20 0.36
THRB P10828 1/20 0.36
HSPD1 P10809 1/20 0.36
HSPE1 P61604 1/20 0.36
CA1 P00915 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
SCHEMBL6001828 0.87 SMN1; SMN2 (0.43) MAPK1SMN1; SMN2BRPF1BRD4BRD1
SCHEMBL6001987 0.85 SMN1; SMN2 (0.41) MAPK1SMN1; SMN2BRPF1PTPN1PTPN11
SCHEMBL6002268 0.83 MAPK1 (0.38) MAPK1SMN1; SMN2PTPN1PTPN11CA2
SCHEMBL6000176 0.81 KDM4E (0.55) MAPK1SMN1; SMN2BRPF1PTPN11BRD4
SCHEMBL6002292 0.80 SERPINE1 (0.48)
SCHEMBL6002238 0.80 CACNA1B (0.40) MAPK1SMN1; SMN2BRPF1PTPN1PTPN11
SCHEMBL6001539 0.78 RXFP1 (0.57) MAPK1SMN1; SMN2RXFP1THRB
SCHEMBL6002233 0.77 ECE1 (0.43) MAPK1SMN1; SMN2BRPF1HDAC1HDAC6
SCHEMBL6001714 0.76 MAPT (0.51) MAPK1SMN1; SMN2BRPF1RXFP1THRB
SCHEMBL9242590 0.74 RXFP1 (0.52) RXFP1

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