SCHEMBL13211925

SCHEMBL13211925

O=COCCNC(=O)c1ccccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HCRTR1 O43613 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 5/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL12337626 0.82 HPGD (0.56) MAPK1NPC1RAB9ATSHRHTT
SCHEMBL14669007 0.81 SMN1; SMN2 (0.51) MAPK1NPC1RAB9ATSHRHTT
SCHEMBL6609811 0.81 ALDH1A1 (0.51) NPC1RAB9ATSHRHTTHCRTR1
SCHEMBL16329591 0.80 SMN1; SMN2 (0.50) MAPK1NPC1RAB9ATSHRHTT
SCHEMBL13637521 0.80 HPGD (0.53) MAPK1NPC1RAB9ATSHRHTT
SCHEMBL24696326 0.80 TSHR (0.57) TSHRHTTHCRTR1POLBHPGD
SCHEMBL11953188 0.80 TSHR (0.45) NPC1RAB9ATSHRHTTHCRTR1
SCHEMBL18074482 0.80 HTT (0.53) NPC1TSHRHTTHCRTR1POLB
SCHEMBL6616501 0.80 TSHR (0.45) NPC1RAB9ATSHRHTTHCRTR1
SCHEMBL14186001 0.80 HPGD (0.47) NPC1RAB9ATSHRHTTHCRTR1

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
EP-2218757-A1 Ink composition Fujifilm Corporation (JP) 2010-08-18 EP disclosed