SCHEMBL7340475

SCHEMBL7340475

CN(NC(=O)Nc1n[nH]c(=S)s1)C(=O)CCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 16/20 0.65
MMP1 P03956 5/20 0.54
MMP2 P08253 1/20 0.54
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 3/20 0.51
CA9 Q16790 3/20 0.51

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
SCHEMBL7335328 0.90 MMP3 (0.55) MMP3MMP1MMP2CA1CA2
SCHEMBL7341297 0.90 MMP3 (0.62) MMP3MMP1MMP2CA1CA2
SCHEMBL7343881 0.89 CA1 (0.53) MMP3MMP1MMP2CA1CA2
SCHEMBL7337236 0.89 MMP3 (0.58) MMP3MMP1MMP2CA1CA2
SCHEMBL7345078 0.88 MMP3 (0.65) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL7333431 0.88 MMP3 (0.57) MMP3MMP1MMP2CA1CA2
SCHEMBL7342416 0.88 MMP3 (0.66) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL7333422 0.87 MMP3 (0.61) MMP3MMP1KDM4EALDH1A1APOBEC3G
SCHEMBL7336654 0.87 MMP3 (0.65) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL7339940 0.86 MMP3 (0.61) MMP3MMP1MMP2KDM4EALDH1A1

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
US-5847148-A Thiadiazole derivatives useful for the treatment of diseases related to connective tissue degradation PHARMACIA & UPJOHN COMPANY (US) 1998-12-08 US disclosed