SCHEMBL9705351

SCHEMBL9705351

O=C(O)CN(CCN(CC(=O)O)CC(=O)NCc1ccccn1)CCN(CC(=O)O)CC(=O)NCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
POLB P06746 1/20 0.58
GAA P10253 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
HPGD P15428 5/20 0.56
ALOX15 P16050 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RECQL P46063 1/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL9706226 0.99 SMN1; SMN2 (0.60) SMN1; SMN2POLBGAAL3MBTL1HPGD
SCHEMBL9513072 0.85 CA1 (0.51) SMN1; SMN2POLBL3MBTL1HPGDALOX15
SCHEMBL4526885 0.80 SMN1; SMN2 (0.66) SMN1; SMN2L3MBTL1ALOX15TDP1MAPT
SCHEMBL8209122 0.80 TDP1 (0.66) SMN1; SMN2L3MBTL1ALOX15TDP1MAPT
SCHEMBL9856623 0.80 CA1 (0.68) GAARAB9AMEN1KMT2ACA1
SCHEMBL19876826 0.80 TDP1 (0.71) SMN1; SMN2L3MBTL1ALOX15TDP1MAPT
SCHEMBL9369229 0.79 SMN1; SMN2 (0.72) SMN1; SMN2POLBGAAHPGDALOX15
SCHEMBL2818579 0.78 SMN1; SMN2 (0.68) SMN1; SMN2L3MBTL1TDP1MAPTKMT2A
SCHEMBL9705794 0.78 CA1 (0.68) GAARAB9AMEN1KMT2ACA1
SCHEMBL6856040 0.78 CYP1A2 (0.54) SMN1; SMN2TDP1MAPTKMT2AKDM4E

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
WO-1992011232-A1 CHELATING AGENTS NYCOMED IMAGING AS (NO) 1992-07-09 WO disclosed