SCHEMBL6001987

SCHEMBL6001987

CCOC(=O)Oc1cc2cc(NS(=O)(=O)C(F)(F)F)ccc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
BRPF1 P55201 6/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 4/20 0.38
HDAC8 Q9BY41 5/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
LMNA P02545 2/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
PTPN1 P18031 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL6002334 0.86 SMN1; SMN2 (0.39) SMN1; SMN2MAPK1BRPF1MAPTMMP2
SCHEMBL6001817 0.85 MAPK1 (0.43) SMN1; SMN2MAPK1BRPF1HDAC8HDAC1
SCHEMBL6001714 0.83 MAPT (0.51) SMN1; SMN2MAPK1BRPF1KDM4ECYP1A2
SCHEMBL6001840 0.83 CACNA1B (0.40) SMN1; SMN2MAPK1BRPF1MAPTMMP2
SCHEMBL6002337 0.81 ECE1 (0.41) SMN1; SMN2MAPK1BRPF1LMNAALDH1A1
SCHEMBL6001828 0.80 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1BRPF1MAPTMEN1
SCHEMBL9238606 0.77 KDM4E (0.50) SMN1; SMN2KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL9237671 0.77 LMNA (0.50) KDM4ECYP1A2CYP3A4CYP2C19LMNA
SCHEMBL6000176 0.75 KDM4E (0.55) SMN1; SMN2MAPK1BRPF1KDM4EHDAC8
SCHEMBL6001895 0.73 POLB (0.47) SMN1; SMN2MAPK1KDM4EMAPTLMNA

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