SCHEMBL1768929

SCHEMBL1768929

COC(=O)CNC(OC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 2/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KCNA5 P22460 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 3/20 0.41
APAF1 O14727 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL4679533 0.82 KMT2A (0.55) KMT2AGAATSHRLMNARECQL
SCHEMBL2408156 0.81 APAF1 (0.57) KMT2AALDH1A1LMNASMN1; SMN2CA12
SCHEMBL2408159 0.81 APAF1 (0.57) KMT2AALDH1A1LMNASMN1; SMN2CA12
SCHEMBL6809830 0.81 APAF1 (0.57) KMT2AALDH1A1LMNASMN1; SMN2CA12
SCHEMBL8760851 0.79 PTGS2 (0.45) KMT2AGAATSHRALDH1A1LMNA
SCHEMBL14675504 0.74 KMT2A (0.52) KMT2AGAATSHRALDH1A1LMNA
SCHEMBL31477970 0.74 KMT2A (0.52) KMT2ATSHRALDH1A1CA12CA7
SCHEMBL9545301 0.73 NPC1 (0.44) TSHRALDH1A1LMNAKDM4E
SCHEMBL8704293 0.73 KMT2A (0.50) KMT2ATSHRALDH1A1CA12CA7
SCHEMBL15514630 0.73 KMT2A (0.50) KMT2AGAATSHRALDH1A1LMNA

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
EP-2501693-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB Pharma SAS (FR) 2012-09-26 EP disclosed
WO-2011061214-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA SAS (FR) 2011-05-26 WO disclosed