SCHEMBL17049815

SCHEMBL17049815

Cc1nccn1CC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALPL P05186 2/20 0.41
ALPG P10696 2/20 0.41
ALPI P09923 1/20 0.41
PLAA Q9Y263 1/20 0.41
GFER P55789 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
NOS1 P29475 1/20 0.40
FDPS P14324 1/20 0.40
ESR1 P03372 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL17049603 0.95 KDM4E (0.40) KMT2AKDM4ETDP1POLBL3MBTL1
SCHEMBL16580126 0.84 ALPG (0.43) KMT2AKDM4ETDP1POLBSMN1; SMN2
SCHEMBL15199192 0.81 SMN1; SMN2 (0.35) KMT2AKDM4ETDP1POLBL3MBTL1
SCHEMBL369240 0.76 ALPL (0.54) KMT2AKDM4ETDP1POLBL3MBTL1
SCHEMBL12693214 0.75 KDM4E (0.51) KMT2AKDM4ETDP1POLBL3MBTL1
SCHEMBL15199194 0.74 SMN1; SMN2 (0.31) POLBL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL28835895 0.74 ALPL (0.55) KMT2AKDM4ETDP1POLBL3MBTL1
SCHEMBL28938190 0.74 ALPL (0.53) KMT2AKDM4ETDP1POLBL3MBTL1
SCHEMBL15203003 0.73 KDM4E (0.50) KMT2AKDM4ETDP1POLBL3MBTL1
SCHEMBL315751 0.73 KDM4E (0.50) KMT2AKDM4ETDP1POLBL3MBTL1

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-9120837-B2 Metal complexes of poly(carboxyl)amine-containing ligands having an affinity for carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS (US) 2015-09-01 US disclosed