SCHEMBL7693586

SCHEMBL7693586

[N-]=[N+]=C(S(=O)(=O)c1ccc(OS(=O)(=O)C2CCCCC2)cc1)S(=O)(=O)c1ccc(OS(=O)(=O)C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 10/20 0.46
CA12 O43570 2/20 0.46
ENPP3 O14638 12/20 0.35
ENPP2 Q13822 8/20 0.35
STS P08842 4/20 0.35

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
SCHEMBL7695999 0.83 ENPP3 (0.45) ENPP1ENPP3ENPP2STS
SCHEMBL7697001 0.81 ENPP3 (0.47) ENPP1ENPP3ENPP2
SCHEMBL6738533 0.80 MMP1 (0.42) STS
SCHEMBL3175601 0.80 MMP1 (0.45)
SCHEMBL7694841 0.78 MMP2 (0.40) ENPP1CA12ENPP3
SCHEMBL3169804 0.78 MMP13 (0.46)
SCHEMBL3166504 0.76 MMP9 (0.45)
SCHEMBL7721708 0.76 MAPT (0.47)
SCHEMBL7691171 0.76 ENPP3 (0.46) ENPP1ENPP3ENPP2
SCHEMBL3166735 0.75 MMP9 (0.46)

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-6338931-B1 PHOTOACID GENERATOR OF SULFONYLDIAZOMETHANE COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-01-15 US disclosed