SCHEMBL1490804

SCHEMBL1490804

CC[C](NS(C)(=O)=O)c1cccc(C(=O)NC(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.41
ERN1 O75460 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
HPGD P15428 1/20 0.41
MAOB P27338 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
KAT6A Q92794 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL1490852 0.81 L3MBTL1 (0.57) GAAKMT2AHSD17B10ALDH1A1ERN1
SCHEMBL8593124 0.79 NPSR1 (0.69) NPSR1GAAKMT2AHSD17B10ALDH1A1
SCHEMBL13702338 0.75 GAA (0.60) NPSR1GAAKMT2AHSD17B10ALDH1A1
SCHEMBL1490874 0.74 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HPGD
SCHEMBL14507863 0.74 ALDH1A1 (0.69) NPSR1GAAKMT2AHSD17B10ALDH1A1
SCHEMBL14355565 0.73 NPSR1 (0.61) NPSR1GAAKMT2AHSD17B10ALDH1A1
SCHEMBL13753397 0.73 NPSR1 (0.61) NPSR1GAAKMT2AHSD17B10ALDH1A1
SCHEMBL165801 0.73 KDM4E (0.61) NPSR1GAAKMT2AALDH1A1ERN1
SCHEMBL13753809 0.72 NPSR1 (0.56) NPSR1GAAKMT2AHSD17B10ALDH1A1
SCHEMBL958217 0.71 NPSR1 (0.59) NPSR1GAAKMT2AHSD17B10ALDH1A1

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-7897609-B2 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed