SCHEMBL6651435

SCHEMBL6651435

CC(C)(C)OC(=O)c1c[nH]c2ccc(CCN3CCOCC3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
GAA P10253 2/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL6649760 0.92 SIGMAR1 (0.42) KDM4EALDH1A1HPGDMAPTSIGMAR1
SCHEMBL6648434 0.80 GABRA1 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6647810 0.79 KDM4E (0.48) KDM4EALDH1A1HPGDPRKAB2PRKAG1
SCHEMBL6647509 0.77 NR4A2 (0.49) MAPTKMT2AGABRA1GABRB2
SCHEMBL27804319 0.76 HDAC1 (0.46) ALDH1A1POLBHRH3
SCHEMBL28025585 0.75 POLB (0.41) ALDH1A1HPGDMAPTGAAPOLB
SCHEMBL15757972 0.74 ALDH1A1 (0.46) HTR1DHTR1BALDH1A1MAPTKMT2A
SCHEMBL6647127 0.73 ALDH1A1 (0.42) KDM4EALDH1A1MAPTPRKAB2PRKAG1
SCHEMBL6049347 0.73 GABRA1 (0.44) GABRA1GABRB2
SCHEMBL6676999 0.72 GABRA1 (0.47) KDM4EALDH1A1POLBTSHRGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474425-A1 DEAZAPURINES AND USES THEREOF Eisai Co. Ltd. (JP) 2004-11-10 EP disclosed
WO-2004063336-A2 USES OF DEAZAPURINES FOR THE TREATMENT OF REPERFUSION INJURIES, OSTEOPOROSIS AND/OR BONE METASTASIS EISAI CO. LTD. (JP) 2004-07-29 WO disclosed
WO-2003057696-A1 DEAZAPURINES AND USES THEREOF EISAI CO. LTD. (JP) 2003-07-17 WO disclosed