SCHEMBL11570804

SCHEMBL11570804

O=S(=O)(NSC(=S)NCCNC(=S)SNS(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
KDM4E B2RXH2 2/20 0.47
CA1 P00915 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 6/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 3/20 0.41
USP2 O75604 1/20 0.41
BCAT1 P54687 1/20 0.41
KAT6A Q92794 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TBXA2R P21731 1/20 0.40
KEAP1 Q14145 1/20 0.40

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
SCHEMBL11574958 0.76 CA2 (0.49) CA2KDM4ECA1MMP1MMP2
SCHEMBL11568845 0.75 CA2 (0.49) CA2KDM4ECA1MMP1MMP2
SCHEMBL11569916 0.73 KMT2A (0.48) CA2KDM4ECA1MMP1MMP2
SCHEMBL11568325 0.73 KDM4E (0.48) CA2KDM4ECA1MMP1MMP2
SCHEMBL11568506 0.72 BCAT1 (0.55) CA2CA1MMP1MMP2MMP9
SCHEMBL11570279 0.70 KAT6A (0.51) CA2KDM4ECA1MMP1MMP2
SCHEMBL11570389 0.70 ALDH1A1 (0.45) CA2KDM4ECA1MMP1MMP2
SCHEMBL11567644 0.69 TDP1 (0.47) CA2KDM4ECA1ALDH1A1LMNA
SCHEMBL11568505 0.67 MMP1 (0.48) CA2KDM4ECA1MMP1MMP2
SCHEMBL21051622 0.67 USP2 (0.68) CA2KDM4ECA1MMP2ALDH1A1

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
EP-0004711-A2 Process for the cross-linking of polymers Vulnax International Limited (GB) 1979-10-17 EP disclosed