SCHEMBL5227937

SCHEMBL5227937

CC(=O)N(C)[C@@H]1CN(c2cc(F)c(-c3ccc(-n4cncn4)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
MAOA P21397 3/20 0.35
CALML3 P27482 3/20 0.34
CYP2C9 P11712 2/20 0.34
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAOB P27338 2/20 0.33
MAPT P10636 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2896279 0.83 MAOA (0.51) MAOACALML3MAOBLMNA
SCHEMBL5223010 0.82 KDM4E (0.39) KDM4EALDH1A1GLAHTTMAOA
SCHEMBL5227943 0.82 KDM4E (0.38) KDM4EALDH1A1GLAHTTMAOA
SCHEMBL8442375 0.81 CYP1A2 (0.43) MAOACALML3CYP2C9CYP3A4MAOB
SCHEMBL5223015 0.81 CALML3 (0.42) KDM4EALDH1A1MAOACALML3CYP2C9
SCHEMBL2890506 0.81 CALML3 (0.42) KDM4EALDH1A1MAOACALML3CYP2C9
SCHEMBL2890867 0.80 CALML3 (0.40) MAOACALML3CYP2C9CYP3A4MAOB
SCHEMBL2890869 0.80 MAOA (0.43) MAOACALML3CYP3A4MAOBCYP2C19
SCHEMBL2896721 0.80 CALML3 (0.41) KDM4EALDH1A1MAOACALML3CYP2C9
SCHEMBL2890769 0.80 MAOA (0.44) KDM4EALDH1A1MAOACALML3MAOB

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-1799677-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS Ranbaxy Laboratories Limited (IN) 2007-06-27 EP disclosed
WO-2006038100-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-13 WO disclosed