SCHEMBL9528678

SCHEMBL9528678

COC(=O)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
NOD2 Q9HC29 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL9652368 0.82 KMT2A (0.54) KMT2ACA1CA2MMP1MMP2
SCHEMBL5455252 0.81 SMN1; SMN2 (0.54) KMT2ACA1CA2MMP1MMP2
SCHEMBL29398676 0.79 KMT2A (0.44) KMT2AMEN1CA1CA2MMP1
SCHEMBL27914208 0.78 GAA (0.56) KMT2AMEN1CA1CA2MMP1
SCHEMBL22038769 0.77 POLB (0.59) KMT2AMEN1CA1CA2MMP1
SCHEMBL11107252 0.76 GAA (0.54) KMT2AMEN1CA1CA2MMP1
SCHEMBL766979 0.76 GAA (0.54) KMT2AMEN1CA1CA2MMP1
SCHEMBL766980 0.76 GAA (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL11251822 0.75 ALDH1A1 (0.47) KMT2AMEN1CA1CA2MMP1
SCHEMBL15395939 0.74 ALDH1A1 (0.47) KMT2AMEN1CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270947-B1 SUBSTITUTED BASIC 2-AMINOTETRALINES BAYER AG (DE) 1993-05-19 EP claimed
EP-0270947-A2 Substituted basic 2-aminotetralines BAYER AG (DE) 1988-06-15 EP claimed
EP-0270947-B1 SUBSTITUTED BASIC 2-AMINOTETRALINES BAYER AG (DE) 1993-05-19 EP disclosed