SCHEMBL13680417

SCHEMBL13680417

CCC[C@H](N)C(=O)Nc1nc(C(=O)OC)c(-c2ccccc2-c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
RORC P51449 1/20 0.36
KDM4E B2RXH2 2/20 0.36
DHODH Q02127 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
XIAP P98170 4/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PTPN1 P18031 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATAD2 Q6PL18 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 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
SCHEMBL8282843 0.82 PSEN1 (0.53)
SCHEMBL8283528 0.79 SCN9A (0.38) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL13680416 0.78 KDM4E (0.60) GAARORCKDM4EDHODHALDH1A1
SCHEMBL8284039 0.76 KMT2A (0.37) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3083725 0.70 POLB (0.38) RORCKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14364277 0.67 GAA (0.49) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL16398901 0.67 KDM4E (0.70) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3094438 0.66 POLB (0.58) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6373670 0.65 ALDH1A1 (0.56) GAAKDM4EDHODHALDH1A1HPGD
SCHEMBL269275 0.65 KDM4E (0.50) GAAKDM4EALDH1A1HPGDSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582664-B2 Acylaminothiazole derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-09-01 US disclosed
US-7582664-B2 Acylaminothiazole derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-09-01 US disclosed