SCHEMBL6987897

SCHEMBL6987897

CC[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)NCC#N.C[C@@H](CCS(=O)(=O)Cc1cnc2ccccc2c1)NO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 1/20 0.35
ACACB O00763 1/20 0.34
MMP13 P45452 1/20 0.33
CYP1A2 P05177 1/20 0.33
MMP1 P03956 1/20 0.33
FCER2 P06734 1/20 0.33
MMP3 P08254 1/20 0.33
ACP1 P24666 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
RAB9A P51151 2/20 0.31
DOCK5 Q9H7D0 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL6403781 0.90 CYP1A2 (0.36) MMP2MMP9MMP8ACACBMMP13
SCHEMBL6609601 0.89 CYP1A2 (0.39) MMP2MMP9MMP8ACACBCYP1A2
SCHEMBL6609609 0.89 CYP1A2 (0.39) MMP2MMP9MMP8ACACBCYP1A2
SCHEMBL6988573 0.85 CYP1A2 (0.42) MMP2MMP9MMP8ACACBMMP13
SCHEMBL6404069 0.83 CYP1A2 (0.38) MMP2ACACBMMP13CYP1A2RAB9A
SCHEMBL6404062 0.83 CYP1A2 (0.38) MMP2ACACBMMP13CYP1A2RAB9A
SCHEMBL6754693 0.83 MMP2 (0.40) MMP2MMP9MMP8ACACBMMP13
Hydrochloric Acid SCHEMBL6399825 0.83 CYP1A2 (0.37) MMP2MMP9MMP8ACACBCYP1A2
SCHEMBL6987901 0.83 MMP2 (0.35) MMP2MMP9MMP8ACACBMMP13
SCHEMBL6607771 0.81 MMP2 (0.38) MMP2MMP9MMP8ACACBMMP13

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