SCHEMBL9977989

SCHEMBL9977989

Cn1ccnc1S(=O)(=O)C(C)(C)C(=O)NCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
MMP8 P22894 2/20 0.46
EPHX2 P34913 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 3/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
OPRK1 P41145 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL9978211 0.82 POLB (0.60) POLBMMP8EPHX2KDM4EKMT2A
SCHEMBL9978003 0.78 POLB (0.59) POLBMMP8EPHX2KDM4EKMT2A
SCHEMBL9978174 0.75 POLB (0.60) POLBMMP8KDM4EKMT2ACYP2D6
SCHEMBL9978171 0.74 POLB (0.59) POLBMMP8EPHX2KMT2ACYP2D6
SCHEMBL9978049 0.72 POLB (0.54) POLBMMP8EPHX2KDM4EKMT2A
SCHEMBL9937870 0.72 POLB (0.51) POLBMMP8NPC1RAB9A
SCHEMBL9978179 0.72 MMP1 (0.58) POLBMMP8KMT2AALDH1A1LMNA
SCHEMBL9978172 0.72 POLB (0.56) POLBMMP8KMT2ACYP2D6CYP2C9
SCHEMBL12356333 0.71 POLB (1.00) POLBMMP8EPHX2KDM4EKMT2A
SCHEMBL9978175 0.71 ALDH1A1 (0.57) POLBMMP8KDM4EKMT2ACYP2C9

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
WO-2012079164-A1 ACTIVATORS OF CYLINDRICAL PROTEASES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-06-21 WO disclosed