SCHEMBL16112282

SCHEMBL16112282

CCOC(=O)C1(NCc2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.37
ROCK2 O75116 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
FPR3 P25089 3/20 0.36
FPR2 P25090 3/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
P2RX7 Q99572 1/20 0.35

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
SCHEMBL26981939 0.89 NPSR1 (0.48) SMN1; SMN2MEN1KMT2ACYP2C19ALDH1A1
SCHEMBL21777896 0.87 MAPT (0.46) RORCSMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL26981951 0.84 ALDH1A1 (0.41) RORCSMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL30069764 0.84 ALDH1A1 (0.41) RORCSMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL16111612 0.79 ALDH1A1 (0.43) SMN1; SMN2MEN1KMT2AMAPK1ALDH1A1
SCHEMBL21778061 0.79 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ACYP2C19ALDH1A1
SCHEMBL16112128 0.77 MEN1 (0.39) SMN1; SMN2MEN1KMT2AMAPK1ALDH1A1
SCHEMBL15549442 0.75 FPR2 (0.53) MEN1KMT2AMAPK1ALDH1A1LMNA
SCHEMBL429816 0.74 MEN1 (0.39) SMN1; SMN2MEN1KMT2ACYP2C19ALDH1A1
SCHEMBL21777929 0.73 EPHX2 (0.43) SMN1; SMN2ALDH1A1NPSR1GPR119P2RX7

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