SCHEMBL7724205

SCHEMBL7724205

NCC(NCC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
CYP3A4 P08684 3/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALOX15 P16050 1/20 0.48
CES1 P23141 1/20 0.48
TSHR P16473 1/20 0.46
DPP4 P27487 1/20 0.46
PTPN1 P18031 2/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL14628078 0.87 DPP4 (0.47) KMT2AMEN1CYP3A4HPGDMAPT
SCHEMBL18562109 0.83 TSHR (0.47) KMT2AMEN1CYP3A4HPGDMAPT
SCHEMBL13750377 0.83 MMP2 (0.51) KMT2AMEN1CYP3A4HPGDMAPT
SCHEMBL6359191 0.83 KMT2A (0.48) KMT2AMEN1CYP3A4HPGDMAPT
SCHEMBL2323847 0.83 MEN1 (0.48) KMT2AMEN1CYP3A4HPGDMAPT
SCHEMBL6359192 0.83 KMT2A (0.48) KMT2AMEN1CYP3A4HPGDMAPT
SCHEMBL7468481 0.81 SIGMAR1 (0.51) KMT2AMEN1CYP3A4HPGDMAPT
SCHEMBL17944509 0.81 SIGMAR1 (0.51) KMT2AMEN1CYP3A4HPGDMAPT
SCHEMBL10192651 0.81 KMT2A (0.51) KMT2AMEN1CYP3A4HPGDMAPT
SCHEMBL10192637 0.81 KMT2A (0.51) KMT2AMEN1CYP3A4HPGDMAPT

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
US-6770640-B1 EMPHYSEMA AVENTIS PHARMACEUTICALS INC. 2004-08-03 US disclosed