SCHEMBL7366495

SCHEMBL7366495

CC(C)(C)OC(=O)c1n[nH]c2cc(NC(=O)c3ccccc3O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 4/20 0.43
TP53 P04637 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAP4K1 Q92918 1/20 0.43
CDK2 P24941 1/20 0.43
ALOX15 P16050 3/20 0.43
KDM4E B2RXH2 2/20 0.43
STAT3 P40763 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL7367977 0.89 JAK2 (0.46) FLT3NPC1RAB9ALMNAALDH1A1
SCHEMBL7370817 0.85 HTT (0.51) FLT3RAB9AMEN1KMT2ALMNA
SCHEMBL7366169 0.84 FLT3 (0.43) FLT3LMNASMN1; SMN2ALDH1A1MAP4K1
SCHEMBL7373717 0.84 NR1H4 (0.57) FLT3TP53SMN1; SMN2
SCHEMBL7368010 0.82 FLT3 (0.46) FLT3NPC1RAB9AKMT2ALMNA
SCHEMBL7368426 0.82 NPC1 (0.54) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL7371977 0.81 NR1H4 (0.46) FLT3TP53SMN1; SMN2
SCHEMBL7371218 0.81 MEN1 (0.53) FLT3RAB9AMEN1KMT2ALMNA
SCHEMBL7365502 0.81 JAK2 (0.41) FLT3LMNAALDH1A1MAP4K1CDK2
SCHEMBL7367473 0.80 SMN1; SMN2 (0.46) FLT3NPC1RAB9AMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed