SCHEMBL3394404

SCHEMBL3394404

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(N(C)C)cc2)NC(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
PDE1C Q14123 2/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 4/20 0.53
ADORA2B P29275 6/20 0.49
TP53 P04637 1/20 0.46

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
SCHEMBL3395157 0.91 MEN1 (0.59) HSD17B10MEN1KMT2APDE1CALDH1A1
SCHEMBL3434652 0.89 MEN1 (0.64) MEN1KMT2APDE1CALDH1A1SMN1; SMN2
SCHEMBL3398354 0.89 MEN1 (0.64) HSD17B10MEN1KMT2APDE1CALDH1A1
SCHEMBL3393538 0.88 MEN1 (0.78) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3393219 0.88 MEN1 (0.62) MEN1KMT2APDE1CMAPK1GAA
SCHEMBL3399280 0.87 MEN1 (0.61) MEN1KMT2APDE1CMAPK1GAA
Hydrochloric Acid SCHEMBL3394808 0.87 MEN1 (0.61) MEN1KMT2APDE1CMAPK1GAA
SCHEMBL3395613 0.86 MEN1 (0.60) HSD17B10MEN1KMT2APDE1CALDH1A1
SCHEMBL13425692 0.86 MEN1 (0.60) MEN1KMT2APDE1CMAPK1SMN1; SMN2
SCHEMBL3398047 0.86 MEN1 (0.60) HSD17B10MEN1KMT2APDE1CMAPK1

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed