SCHEMBL5813841

SCHEMBL5813841

Cc1nc(-c2ccccc2)c(NC(=O)NS(=O)(=O)c2cc3ccccc3[nH]2)s1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.60
CNR1 P21554 7/20 0.43
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38

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
SCHEMBL5804272 0.79 NTRK1 (0.62) NTRK1ALDH1A1POLBGAAKDM4E
SCHEMBL16595137 0.77 NTRK1 (1.00) NTRK1ALDH1A1POLBGAAKDM4E
SCHEMBL5815917 0.77 NTRK1 (0.65) NTRK1ALDH1A1GAAKDM4EMAPT
SCHEMBL10568558 0.76 GAA (0.45) CNR1ALDH1A1GAA
SCHEMBL5804820 0.74 NTRK1 (0.58) NTRK1ALDH1A1POLBGAAKDM4E
SCHEMBL8252821 0.73 NTRK1 (0.60) NTRK1ALDH1A1GAAPTGS2
SCHEMBL8259077 0.73 NTRK1 (0.71) NTRK1ALDH1A1POLBGAAKDM4E
SCHEMBL5814359 0.73 NTRK1 (0.85) NTRK1ALDH1A1POLBGAAKDM4E
SCHEMBL5804817 0.73 NTRK1 (0.59) NTRK1ALDH1A1POLBGAAKDM4E
SCHEMBL11648787 0.72 NTRK1 (0.89) NTRK1ALDH1A1POLBGAAKDM4E

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