SCHEMBL17414596

SCHEMBL17414596

BOc1cc(OC)cc(C(=O)NC)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.55
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL7959771 0.91 PLK1 (0.64) PLK1HSD17B1HSD17B2KDM4EGAA
SCHEMBL12430522 0.80 PLK1 (0.56) PLK1HSD17B1HSD17B2KDM4EGAA
SCHEMBL12430488 0.80 PLK1 (0.56) PLK1HSD17B1HSD17B2KDM4EGAA
SCHEMBL12852634 0.79 PLK1 (0.55) PLK1HSD17B1HSD17B2KDM4EGAA
SCHEMBL28131235 0.79 PLK1 (0.55) PLK1HSD17B1HSD17B2KDM4EGAA
SCHEMBL19993570 0.79 TUBB4A (0.61) PLK1HSD17B1HSD17B2KDM4EGAA
SCHEMBL2590130 0.79 PLK1 (0.55) PLK1HSD17B1HSD17B2KDM4EGAA
SCHEMBL20145771 0.78 PLK1 (0.50) PLK1HSD17B1HSD17B2KDM4EGAA
SCHEMBL17414595 0.78 PLK1 (0.55) PLK1
SCHEMBL9637773 0.77 KDM4E (0.63) KDM4EGAAMEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016004093-A2 THERAPEUTIC COMPOSITIONS INCLUDING GALECTIN-3 INHIBITORS AND USES THEREOF STEALTH BIOTHERAPEUTICS CORP (MC) 2016-01-07 WO disclosed