SCHEMBL11570397

SCHEMBL11570397

CCCCN(CCCC)C(=S)SNS(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
ALDH2 P05091 2/20 0.53
MGLL Q99685 1/20 0.40
PKM P14618 2/20 0.39
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
CA2 P00918 2/20 0.38
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
AGTR1 P30556 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11567644 0.76 TDP1 (0.47) ALDH1A1ALDH2PKMCA12CA1
SCHEMBL20072645 0.71 ALDH1A1 (0.68) ALDH1A1ALDH2MGLLPKMCA12
SCHEMBL284603 0.71 ALDH1A1 (0.74) ALDH1A1ALDH2MGLLPKMCA12
SCHEMBL24804 0.71 ALDH1A1 (1.00) ALDH1A1ALDH2MGLLPKMCA12
SCHEMBL11592364 0.70 ALDH1A1 (0.55) ALDH1A1ALDH2MGLLPKMCA12
SCHEMBL11159276 0.69 ALDH1A1 (0.95) ALDH1A1ALDH2MGLLPKMCA12
SCHEMBL3160089 0.69 ALDH1A1 (0.71) ALDH1A1ALDH2MGLLPKMCA12
SCHEMBL24360190 0.67 ALDH1A1 (0.91) ALDH1A1ALDH2MGLLPKMCA12
SCHEMBL11294396 0.67 ALDH1A1 (0.68) ALDH1A1ALDH2MGLLPKMCA12
SCHEMBL21821541 0.67 ALDH1A1 (0.68) ALDH1A1ALDH2MGLLPKMCA12

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