SCHEMBL7333445

SCHEMBL7333445

CN(N)C(=O)C(COCc1ccccc1)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 17/20 0.61
MMP1 P03956 7/20 0.61
MMP2 P08253 2/20 0.48
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL7345089 0.83 MMP3 (0.55) MMP3MMP1MMP2CA1CA2
SCHEMBL7339581 0.82 MMP3 (0.52) MMP3MMP1MMP2CA1CA2
SCHEMBL7341498 0.80 CA1 (0.44) MMP3MMP1MMP2CA1CA2
SCHEMBL7332421 0.77 CA1 (0.41) MMP3MMP1MMP2CA1CA2
SCHEMBL6968594 0.77 MMP3 (0.71) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7335781 0.76 MMP3 (0.53) MMP3MMP1MMP2CA1CA2
SCHEMBL6954663 0.76 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6954669 0.76 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6954611 0.75 MMP3 (0.81) MMP3MMP1MMP2
SCHEMBL6952846 0.74 MMP3 (0.80) MMP3MMP1MMP2

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