SCHEMBL23912288

SCHEMBL23912288

CC(C)(C)OC(=O)NC1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
ALOX5 P09917 1/20 0.46
DCK P27707 1/20 0.46
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOB P27338 2/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 2/20 0.41
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41

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
SCHEMBL22084059 0.83 ALOX5 (0.47) DRD2ALOX5MEN1POLBKMT2A
SCHEMBL22084631 0.83 ALOX5 (0.47) DRD2ALOX5MEN1POLBKMT2A
SCHEMBL22084633 0.83 ALOX5 (0.47) DRD2ALOX5MEN1POLBKMT2A
SCHEMBL28667075 0.83 KMT2A (0.57) DRD2MEN1KMT2ATDP1MAOB
SCHEMBL30065513 0.82 ALOX5 (0.46) DRD2ALOX5MEN1POLBKMT2A
SCHEMBL23912329 0.81 DRD2 (0.48) DRD2ALOX5POLBMAOBKDM1A
SCHEMBL8066651 0.78 DRD2 (0.54) DRD2ALOX5MAOBKDM1AMAOA
SCHEMBL29157993 0.78 DRD2 (0.52) DRD2MAOBKDM1AALDH1A1
SCHEMBL1869789 0.78 ALDH1A1 (0.58) MMP1MMP2MMP9MMP8MMP13
SCHEMBL14134606 0.78 EPHX2 (0.60) DRD2MEN1KMT2ATDP1

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
EP-3892278-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-10-13 EP disclosed