SCHEMBL5813435

SCHEMBL5813435

Cc1nc(-c2ccccc2)c(NC(=O)NS(=O)(=O)c2ccc(CCc3ccccc3)s2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.58
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 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
SCHEMBL5804817 0.79 NTRK1 (0.59) NTRK1ALDH1A1MAPTKDM4EPOLB
SCHEMBL5801916 0.78 NTRK1 (0.58) NTRK1ALDH1A1MAPTKDM4EPOLB
SCHEMBL5804272 0.78 NTRK1 (0.62) NTRK1ALDH1A1MAPTKDM4EPOLB
SCHEMBL5813421 0.76 NTRK1 (0.55) NTRK1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL5804854 0.76 NTRK1 (0.54) NTRK1ALDH1A1MAPTKDM4ELMNA
SCHEMBL5820018 0.76 NTRK1 (0.54) NTRK1ALDH1A1MAPTKDM4ELMNA
SCHEMBL16595137 0.75 NTRK1 (1.00) NTRK1ALDH1A1MAPTKDM4EPOLB
SCHEMBL5815917 0.75 NTRK1 (0.65) NTRK1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL8252821 0.74 NTRK1 (0.60) NTRK1ALDH1A1LMNAGAAMEN1
SCHEMBL5814366 0.74 NTRK1 (0.57) NTRK1ALDH1A1MAPTKDM4EPOLB

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