SCHEMBL6987795

SCHEMBL6987795

CC(CS(=O)(=O)Cc1cnc2ccccc2c1)C(C)NO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MMP1 P03956 1/20 0.39
FCER2 P06734 1/20 0.39
MMP3 P08254 1/20 0.39
ACACB O00763 1/20 0.39
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACP1 P24666 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL6665570 0.89 KDM4E (0.40) CYP1A2MMP2MMP9MMP8MMP13
SCHEMBL6606289 0.87 CYP1A2 (0.42) CYP1A2MMP2MMP9MMP8MMP13
SCHEMBL6986645 0.86 CYP1A2 (0.43) CYP1A2MMP2MMP9MMP8MMP13
SCHEMBL6608483 0.85 MMP2 (0.45) CYP1A2MMP2MMP9MMP8MMP13
SCHEMBL6608479 0.85 MMP2 (0.45) CYP1A2MMP2MMP9MMP8MMP13
SCHEMBL6607278 0.84 CYP1A2 (0.42) CYP1A2MMP2MMP9MMP8MMP13
SCHEMBL6607276 0.84 CYP1A2 (0.42) CYP1A2MMP2MMP9MMP8MMP13
SCHEMBL6078647 0.83 KMT2A (0.40) CYP1A2MMP2MMP9MMP8MMP13
SCHEMBL6078652 0.83 KMT2A (0.40) CYP1A2MMP2MMP9MMP8MMP13
SCHEMBL6606473 0.82 CYP1A2 (0.42) CYP1A2MMP2MMP9MMP8MMP13

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-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO disclosed