SCHEMBL4587533

SCHEMBL4587533

N#CCN1CCNC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C19 P33261 1/20 0.37
KDM1A O60341 7/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
CFB P00751 1/20 0.32
KCNA3 P22001 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL27940801 0.78 KDM4E (0.44) KDM4EALDH1A1CYP2C19PKMHPGD
SCHEMBL505697 0.74 RECQL (0.44) KDM4EALDH1A1CHRM2CHRM4CHRM5
SCHEMBL11337362 0.70 KDM4E (0.32) KDM4EALDH1A1KDM1APKMHPGD
SCHEMBL3609864 0.69 CHRNB2 (0.50) KDM4EALDH1A1HPGDTDP1CHRM2
SCHEMBL28038145 0.68 KDM4E (0.43) KDM4EALDH1A1CYP2C19PKMHPGD
SCHEMBL7072099 0.68 CHRNB2 (0.44) KDM4EALDH1A1PKMHPGDALOX12
SCHEMBL24409946 0.68 ATM (0.35) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL17679252 0.68 RECQL (0.38) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL811572 0.67 SLC6A2 (0.42) KDM4EALDH1A1PKMHPGDALOX12
SCHEMBL21180934 0.67 CHRM2 (0.36) ALDH1A1CHRM2CHRM4CHRM5CHRM1

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-1778618-A4 SYNTHESIS OF TRIETHYLENETETRAMINES PROTEMIX CORP LTD (NZ) 2008-07-16 EP disclosed
EP-1778618-A2 SYNTHESIS OF TRIETHYLENETETRAMINES Protemix Corporation Limited (NZ) 2007-05-02 EP disclosed
WO-2006027705-A2 SYNTHESIS OF TRIETHYLENETETRAMINES PROTEMIX CORPORATION LIMITED (NZ) 2006-03-16 WO disclosed