SCHEMBL28039653

SCHEMBL28039653

[CH2]CNc1ccccc1-c1ccccc1CN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.48
PNMT P11086 3/20 0.40
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA2 P00918 1/20 0.36
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
BPTF Q12830 1/20 0.30
KAT2B Q92831 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
SCHEMBL3787333 0.77 DPP4 (0.73) DPP4PNMTCSNK2A2CSNK2BCSNK2A1
SCHEMBL2455127 0.70 DPP4 (0.57) DPP4PNMTCA12CA2ALDH1A1
SCHEMBL3790601 0.67 ALDH1A1 (0.62) DPP4PNMTCSNK2A2CSNK2BCSNK2A1
SCHEMBL16814939 0.67 DPP4 (0.59) DPP4PNMTCSNK2A2CSNK2BCSNK2A1
SCHEMBL22910543 0.67 DPP4 (0.53) DPP4PNMTCSNK2A2CSNK2BCSNK2A1
SCHEMBL28823485 0.67 QPCT (0.48) ALDH1A1
SCHEMBL258906 0.66 BPTF (0.50) DPP4PNMTCA12CA9CA2
SCHEMBL6862516 0.66 DPP4 (1.00) DPP4PNMTCSNK2A2CSNK2BCSNK2A1
SCHEMBL2482120 0.66 DPP4 (0.57) DPP4PNMTCSNK2A2CSNK2BCSNK2A1
SCHEMBL469051 0.65 DPP4 (1.00) DPP4PNMTCSNK2A1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105017312-A Preparation method of beta-aminoethyl phosphono derivative UNIV SOOCHOW 2015-11-04 CN disclosed