SCHEMBL16112128

SCHEMBL16112128

CCOC(=O)C1(NCc2ccc(Br)cc2)CNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FPR2 P25090 4/20 0.38
FPR3 P25089 1/20 0.38
PROKR1 Q8TCW9 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
OPRM1 P35372 1/20 0.36
PPIB P23284 1/20 0.36
PPIA P62937 1/20 0.36
PPID Q08752 1/20 0.36

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
SCHEMBL21777316 0.84 EPHX2 (0.45) NPSR1KDM4EALDH1A1GAAPOLB
SCHEMBL16111612 0.79 ALDH1A1 (0.43) MEN1KMT2AFPR2FPR3PROKR1
SCHEMBL16112282 0.77 RORC (0.40) MEN1KMT2AFPR2FPR3MAPK1
SCHEMBL11638898 0.75 TUBB4A (0.40) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL1980329 0.74 POLB (0.49) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL16839826 0.72 FPR2 (0.43) MEN1KMT2AFPR2FPR3PROKR1
SCHEMBL16839934 0.71 OPRM1 (0.44) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL21789124 0.71 EPHX2 (0.47) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL11641196 0.71 SMN1; SMN2 (0.44) MEN1KMT2AMAPK1SMN1; SMN2LMNA
SCHEMBL16838934 0.70 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2LMNAMAPT

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
WO-2014160649-A1 HYDROXAMIC ACID DERIVATIVES AS LPXC INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2014-10-02 WO disclosed
WO-2014160649-A1 HYDROXAMIC ACID DERIVATIVES AS LPXC INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2014-10-02 WO disclosed