SCHEMBL7299752

SCHEMBL7299752

O=C(O)O[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.55
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MMP8 P22894 13/20 0.49
MMP3 P08254 7/20 0.49
AKR1C3 P42330 2/20 0.47
POLB P06746 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.45
AKR1C1 Q04828 1/20 0.45

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
SCHEMBL6010486 0.85 MMP8 (0.68) MMP8MMP3POLBAPOBEC3AAPOBEC3G
SCHEMBL8576251 0.82 POLB (0.67) MCL1KDM4EALDH1A1MMP8MMP3
SCHEMBL7299750 0.82 POLB (0.67) MCL1KDM4EALDH1A1MMP8MMP3
SCHEMBL7329088 0.79 AKR1C3 (0.56) KDM4EALDH1A1AKR1C3AKR1C1
SCHEMBL14837362 0.78 MMP8 (0.54) MMP8MMP3
SCHEMBL2568805 0.77 ALDH1A1 (0.47) MCL1KDM4EALDH1A1MMP8MMP3
SCHEMBL6010325 0.74 MMP8 (0.67) MMP8MMP3POLBAPOBEC3AAPOBEC3G
SCHEMBL6010136 0.73 MMP8 (0.47) MMP8MMP3POLB
SCHEMBL1024395 0.73 MMP8 (0.50) MMP8MMP3
SCHEMBL8304904 0.71 AKR1C3 (0.64) KDM4EALDH1A1AKR1C3TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468231-B1 Guanidins HOFFMANN LA ROCHE (CH) 1994-09-21 EP disclosed
EP-0468231-A2 Guanidins F. HOFFMANN-LA ROCHE AG (CH) 1992-01-29 EP disclosed