SCHEMBL5819700

SCHEMBL5819700

COC(=O)c1ccc(Sc2ccc(S(=O)(=O)NC(=O)Nc3sc(C)nc3-c3ccccc3)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.51
PTPN1 P18031 1/20 0.37
CDC25B P30305 1/20 0.37
DUSP3 P51452 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
PFKFB3 Q16875 1/20 0.35
PFKFB4 Q16877 1/20 0.35
RAF1 P04049 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5804817 0.91 NTRK1 (0.59) NTRK1MAPTKDM4EGAAMEN1
SCHEMBL5820018 0.89 NTRK1 (0.54) NTRK1MAPTKDM4EGAAALDH1A1
SCHEMBL5813421 0.88 NTRK1 (0.55) NTRK1MAPTKDM4EGAAKMT2A
SCHEMBL5804854 0.81 NTRK1 (0.54) NTRK1MAPTKDM4EGAAMEN1
SCHEMBL5814366 0.77 NTRK1 (0.57) NTRK1MAPTKDM4EGAAALDH1A1
SCHEMBL5819741 0.77 NTRK1 (0.57) NTRK1MAPTKDM4EGAAALDH1A1
SCHEMBL5801916 0.73 NTRK1 (0.58) NTRK1MAPTKDM4EGAAALDH1A1
SCHEMBL5813435 0.73 NTRK1 (0.58) NTRK1MAPTKDM4EGAAMEN1
SCHEMBL5804272 0.73 NTRK1 (0.62) NTRK1MAPTKDM4EGAAALDH1A1
SCHEMBL16595137 0.71 NTRK1 (1.00) NTRK1MAPTKDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006085815-A1 THIAZOLE DERIVATIVES, THEIR PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-08-17 WO claimed
WO-2006085815-A1 THIAZOLE DERIVATIVES, THEIR PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-08-17 WO disclosed
WO-2006085815-A1 THIAZOLE DERIVATIVES, THEIR PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-08-17 WO disclosed