SCHEMBL28136251

SCHEMBL28136251

NC(=O)OCCCC(=O)NCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ITPR1 Q14643 1/20 0.43
FAAH O00519 1/20 0.39
F10 P00742 1/20 0.38
NPY1R P25929 1/20 0.37
HPGD P15428 3/20 0.36
TPSAB1 Q15661 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TERT O14746 3/20 0.36
ACKR3 P25106 1/20 0.35
PRSS1 P07477 1/20 0.35
MTNR1A P48039 1/20 0.35

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
SCHEMBL14940077 0.83 KMT2A (0.67) KMT2AMEN1ITPR1FAAHNPY1R
SCHEMBL21615671 0.80 EPHX2 (0.51) KMT2AMEN1FAAHLMNAMTNR1A
SCHEMBL28136252 0.79 KMT2A (0.53) KMT2AMEN1ITPR1FAAHNPY1R
SCHEMBL14940250 0.78 KMT2A (0.53) KMT2AMEN1FAAHF10HPGD
SCHEMBL19785408 0.77 KMT2A (0.50) KMT2AMEN1ITPR1FAAHF10
SCHEMBL12571808 0.77 KMT2A (0.47) KMT2AMEN1ITPR1FAAHF10
SCHEMBL19927181 0.75 KMT2A (0.49) KMT2AMEN1ITPR1FAAHF10
SCHEMBL1801575 0.75 KMT2A (0.50) KMT2AMEN1ITPR1FAAHF10
SCHEMBL2009382 0.75 KMT2A (0.50) KMT2AMEN1ITPR1FAAHF10
SCHEMBL12571772 0.75 KMT2A (0.50) KMT2AMEN1FAAHHPGDKDM4E

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-106660967-A Process for the cycloaddition of a hetero(aryl) 1,3-dipole compound with a (hetero)cycloalkyne 西纳福克斯股份有限公司 2017-05-10 CN disclosed