SCHEMBL6961405

SCHEMBL6961405

O=C(NCCc1ccccc1)Nc1n[nH]c(=S)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 16/20 1.00
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
GAA P10253 1/20 0.65
APOBEC3G Q9HC16 1/20 0.65
MMP1 P03956 3/20 0.59
MMP2 P08253 1/20 0.57
CA1 P00915 2/20 0.57
CA9 Q16790 2/20 0.57
CA2 P00918 1/20 0.57
CASP6 P55212 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL6951569 0.87 MMP3 (1.00) MMP3KDM4EALDH1A1MMP1MMP2
SCHEMBL6954437 0.85 MMP3 (0.81) MMP3MMP1MMP2
SCHEMBL6952082 0.82 MMP3 (0.69) MMP3MMP1MMP2
SCHEMBL6952076 0.82 MMP3 (0.69) MMP3MMP1MMP2
SCHEMBL7344385 0.82 MMP3 (0.69) MMP3KDM4EALDH1A1GAAAPOBEC3G
Propionic Acid SCHEMBL7342755 0.81 MMP3 (0.88) MMP3MMP1MMP2CA1CA9
SCHEMBL7342416 0.80 MMP3 (0.66) MMP3KDM4EALDH1A1GAAAPOBEC3G
SCHEMBL7362350 0.79 MMP3 (0.69) MMP3KDM4EALDH1A1GAAAPOBEC3G
SCHEMBL6957357 0.79 MMP3 (0.65) MMP3MMP1MMP2
SCHEMBL7336654 0.79 MMP3 (0.65) MMP3KDM4EALDH1A1GAAAPOBEC3G

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900211-B1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS UPJOHN CO (US) 2003-07-02 EP claimed
EP-0900211-A1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-03-10 EP claimed
WO-1997040031-A1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-10-30 WO claimed
EP-0900211-B1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS UPJOHN CO (US) 2003-07-02 EP disclosed
EP-0900211-A1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-03-10 EP disclosed
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
WO-1997040031-A1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-10-30 WO disclosed