SCHEMBL5801916

SCHEMBL5801916

Cc1nc(-c2ccccc2)c(NC(=O)NS(=O)(=O)c2ccc(C#Cc3ccccc3)s2)s1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.58
MMP2 P08253 9/20 0.43
MMP3 P08254 2/20 0.43
MMP13 P45452 1/20 0.43
MMP9 P14780 9/20 0.42
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MMP1 P03956 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
MMP25 Q9NPA2 1/20 0.37

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) NTRK1ALDH1A1POLBGAAKDM4E
SCHEMBL5813435 0.78 NTRK1 (0.58) NTRK1ALDH1A1POLBGAAKDM4E
SCHEMBL5804272 0.78 NTRK1 (0.62) NTRK1ALDH1A1POLBGAAKDM4E
SCHEMBL5813421 0.76 NTRK1 (0.55) NTRK1ALDH1A1POLBGAAKDM4E
SCHEMBL5804854 0.76 NTRK1 (0.54) NTRK1ALDH1A1POLBGAAKDM4E
SCHEMBL5820018 0.76 NTRK1 (0.54) NTRK1ALDH1A1POLBGAAKDM4E
SCHEMBL16595137 0.75 NTRK1 (1.00) NTRK1ALDH1A1POLBGAAKDM4E
SCHEMBL5815917 0.75 NTRK1 (0.65) NTRK1ALDH1A1GAAKDM4EMAPT
SCHEMBL5814366 0.74 NTRK1 (0.57) NTRK1ALDH1A1POLBGAAKDM4E
SCHEMBL5819700 0.73 NTRK1 (0.51) 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 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