SCHEMBL11410100

SCHEMBL11410100

O=C(O)CN(O)Cc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 1/20 0.50
LIN28A Q9H9Z2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KCNA5 P22460 1/20 0.50
PTPRA P18433 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 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
SCHEMBL3854916 0.86 SMN1; SMN2 (0.63) KMT2ACYP1A2CYP3A4SMN1; SMN2MAPT
SCHEMBL1066335 0.84 SMN1; SMN2 (0.61) KMT2ACYP1A2CYP3A4SMN1; SMN2MAPT
SCHEMBL2818579 0.81 SMN1; SMN2 (0.68) KMT2ACYP1A2CYP3A4SMN1; SMN2MAPT
SCHEMBL12254507 0.81 KMT2A (0.51) KMT2ASMN1; SMN2MAPTLIN28ATDP1
SCHEMBL22804018 0.81 KMT2A (0.51) KMT2ACYP1A2CYP3A4SMN1; SMN2MAPT
SCHEMBL29574935 0.80 SMN1; SMN2 (0.71) KMT2ACYP1A2CYP3A4SMN1; SMN2MAPT
SCHEMBL8208243 0.80 SMN1; SMN2 (0.66) KMT2ACYP1A2CYP3A4SMN1; SMN2MAPT
SCHEMBL4526885 0.80 SMN1; SMN2 (0.66) KMT2ACYP1A2CYP3A4SMN1; SMN2MAPT
SCHEMBL8209122 0.80 TDP1 (0.66) KMT2ACYP1A2CYP3A4SMN1; SMN2MAPT
SCHEMBL19876826 0.80 TDP1 (0.71) KMT2ACYP1A2CYP3A4SMN1; SMN2MAPT

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-4216226-A GLYCINE DERIVATIVE MEIJI SEIKA KAISHA, LTD. (JP) 1980-08-05 US disclosed