SCHEMBL2905573

SCHEMBL2905573

CCOC(=O)CC(=O)Nc1scc(-c2ccc(F)cc2)c1C(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.66
TP53 P04637 3/20 0.66
PTPN1 P18031 2/20 0.65
ALDH1A1 P00352 6/20 0.63
KDM4E B2RXH2 3/20 0.63
POLB P06746 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
PRKCZ Q05513 1/20 0.62
RAB9A P51151 1/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPT P10636 3/20 0.60
LMNA P02545 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
GAA P10253 2/20 0.59
HPGD P15428 1/20 0.59
GSTO1 P78417 1/20 0.55
PTPRC P08575 1/20 0.55
PTPRF P10586 1/20 0.55

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
SCHEMBL3606787 0.91 MEN1 (0.60) HTTTP53PTPN1ALDH1A1KDM4E
SCHEMBL5918953 0.89 THRB (0.66) HTTTP53PTPN1ALDH1A1KDM4E
SCHEMBL5919026 0.89 PRKCZ (0.62) HTTTP53PTPN1ALDH1A1KDM4E
SCHEMBL2897094 0.88 POLB (0.74) HTTPTPN1ALDH1A1KDM4EPOLB
SCHEMBL8289507 0.87 PTPN1 (0.69) HTTTP53PTPN1ALDH1A1KDM4E
SCHEMBL23579845 0.83 POLB (0.72) HTTPTPN1ALDH1A1KDM4EPOLB
SCHEMBL5919265 0.81 POLB (0.62) HTTPTPN1ALDH1A1KDM4EPOLB
SCHEMBL3629109 0.81 MAPT (0.72) HTTTP53PTPN1ALDH1A1KDM4E
SCHEMBL3620747 0.81 THRB (0.80) HTTTP53PTPN1ALDH1A1KDM4E
SCHEMBL3627300 0.81 MAPT (0.72) HTTTP53PTPN1ALDH1A1KDM4E

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
EP-1879899-B1 THIENOPYRIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-08-04 EP disclosed