SCHEMBL4960045

SCHEMBL4960045

CN(C)c1cc2[nH]cc(C(=O)O)c(=O)c2cc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
HPGD P15428 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.44
ADRB2 P07550 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 4/20 0.44
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
MDH2 P40926 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 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
SCHEMBL3646574 0.79 HTT (0.51) KDM4EHPGDMEN1KMT2ACYP1A2
SCHEMBL5515830 0.78 KDM4E (0.52) KDM4EHPGDMEN1KMT2ACYP1A2
SCHEMBL3719277 0.78 HTR2A (0.46) KDM4EHPGDMEN1KMT2ACYP1A2
SCHEMBL4964099 0.77 KDM4E (0.44) KDM4EHPGDMEN1KMT2ACYP1A2
SCHEMBL8913208 0.76 HTT (0.51) KDM4EHPGDMEN1KMT2ACYP1A2
SCHEMBL2979085 0.74 KDM4E (0.62) KDM4EHPGDMEN1KMT2ACYP1A2
SCHEMBL2978428 0.74 KDM4E (0.67) KDM4EHPGDMEN1KMT2ACYP1A2
SCHEMBL4962381 0.74 KDM4E (0.48) KDM4EHPGDMEN1KMT2ACYP1A2
SCHEMBL1429717 0.74 KDM4E (0.45) KDM4EHPGDMEN1KMT2ACYP1A2
SCHEMBL4961480 0.73 HTT (0.48) KDM4EHPGDMEN1KMT2ACYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879903-A1 ETHER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2008-01-23 EP disclosed
EP-1879904-A1 4\" AMINO LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2008-01-23 EP disclosed
WO-2006120545-A1 4' AMINO LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2006-11-16 WO disclosed
WO-2006120541-A1 ETHER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) 2006-11-16 WO disclosed