SCHEMBL5819741

SCHEMBL5819741

Cc1nc(-c2ccccc2)c(NC(=O)NS(=O)(=O)c2ncc(Sc3ccccc3)s2)s1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.57
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
FBP1 P09467 2/20 0.35
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
MAPK14 Q16539 1/20 0.33
LOXL3 P58215 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33

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 0.84 NTRK1 (0.59) NTRK1ALDH1A1KDM4EPOLBGAA
SCHEMBL5814366 0.83 NTRK1 (0.57) NTRK1ALDH1A1KDM4EPOLBGAA
SCHEMBL5813421 0.79 NTRK1 (0.55) NTRK1ALDH1A1KDM4EPOLBGAA
SCHEMBL5820018 0.79 NTRK1 (0.54) NTRK1ALDH1A1KDM4EPOLBGAA
SCHEMBL5819700 0.77 NTRK1 (0.51) NTRK1ALDH1A1KDM4EPOLBGAA
SCHEMBL16595137 0.75 NTRK1 (1.00) NTRK1ALDH1A1KDM4EPOLBGAA
SCHEMBL5815917 0.74 NTRK1 (0.65) NTRK1ALDH1A1KDM4EGAAMAPT
SCHEMBL8259077 0.73 NTRK1 (0.71) NTRK1ALDH1A1KDM4EPOLBGAA
SCHEMBL5804854 0.73 NTRK1 (0.54) NTRK1ALDH1A1KDM4EPOLBGAA
SCHEMBL5804272 0.73 NTRK1 (0.62) NTRK1ALDH1A1KDM4EPOLBGAA

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
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