SCHEMBL27656089

SCHEMBL27656089

CN(C)CCCNCC(O)CN

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PAOX Q6QHF9 1/20 0.41
ANPEP P15144 1/20 0.40
DPP7 Q9UHL4 2/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.32
DNM1 Q05193 1/20 0.32
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
TERT O14746 1/20 0.30

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
SCHEMBL8482760 0.88 TDP1 (0.50) TDP1CYP2C9CYP2C19PAOXANPEP
Hydrochloric Acid SCHEMBL8479284 0.86 TDP1 (0.48) TDP1CYP2C9CYP2C19PAOXANPEP
SCHEMBL22893625 0.84 TDP1 (0.36) TDP1CYP2C9CYP2C19ANPEPKDM4E
SCHEMBL4172955 0.79 PKM (0.35) ANPEPPKM
SCHEMBL8483282 0.79 KDM4E (0.52) TDP1CYP2C9CYP2C19PAOXANPEP
SCHEMBL3927783 0.78 TDP1 (0.41) TDP1CYP2C9CYP2C19PAOXANPEP
SCHEMBL4601071 0.78 TDP1 (0.41) TDP1CYP2C9CYP2C19PAOXANPEP
SCHEMBL2330328 0.78 TDP1 (0.48) TDP1CYP2C9CYP2C19PAOXANPEP
SCHEMBL22893632 0.78 CHRM2 (0.34) TDP1ANPEPPKM
SCHEMBL3015969 0.77 CA12 (0.48) TDP1CYP2C9CYP2C19PAOXANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100398580-C Method for producing polyether alcohols BASF AG (DE) 2008-07-02 CN claimed
CN-1835982-A Method for producing polyether alcohols BASF AG (DE) 2006-09-20 CN claimed
CN-101257974-B Polyisocyanurate rigid foam and process for producing same BASF SE 2010-11-10 CN disclosed
CN-101257974-A Polyisocyanurate rigid foam and process for producing same BASF SE (DE) 2008-09-03 CN disclosed
CN-100398580-C Method for producing polyether alcohols BASF AG (DE) 2008-07-02 CN disclosed
CN-1835982-A Method for producing polyether alcohols BASF AG (DE) 2006-09-20 CN disclosed