SCHEMBL13680416

SCHEMBL13680416

COC(=O)c1nc(N)sc1-c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HPGD P15428 1/20 0.60
HSD17B10 Q99714 1/20 0.60
PKM P14618 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RCE1 Q9Y256 1/20 0.55
RORB Q92753 3/20 0.40
GAA P10253 2/20 0.40
CFTR P13569 1/20 0.40
BACE1 P56817 1/20 0.39
KIT P10721 1/20 0.39
KDR P35968 1/20 0.39
NPC1 O15118 1/20 0.39
CISD2 Q8N5K1 1/20 0.39
PTPN1 P18031 1/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL16398901 0.88 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL923710 0.81 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL984311 0.79 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL13680417 0.78 GAA (0.39) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL496802 0.76 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL6373670 0.74 ALDH1A1 (0.56) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL269275 0.74 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL18004116 0.74 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL496375 0.74 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL14172735 0.73 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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