SCHEMBL7366476

SCHEMBL7366476

CC(C)(C)OC(=O)c1n[nH]c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3NC(=O)c3ccc(C(C)(C)C)cc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 4/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 4/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
CSNK2A1 P68400 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR1H4 Q96RI1 10/20 0.43
RXFP1 Q9HBX9 1/20 0.42
PPARG P37231 4/20 0.41

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
SCHEMBL7365886 0.94 RAB9A (0.47) HPGDHTTRAB9ALMNAMAPT
SCHEMBL7367697 0.87 NR1H4 (0.45) NR1H4PPARGPPARDGPBAR1PPARA
SCHEMBL7373717 0.86 NR1H4 (0.57) SMN1; SMN2NR1H4PPARGPPARDPPARA
SCHEMBL7370668 0.85 CSNK2A1 (0.45) HPGDCSNK2A1NR1H4PPARGPPARD
SCHEMBL7364651 0.83 NR1H4 (0.45) NR1H4PPARGPPARDGPBAR1PPARA
SCHEMBL7368037 0.82 HPGD (0.51) HPGDHTTRAB9ALMNAMAPT
SCHEMBL7371060 0.81 F10 (0.46) HPGDCSNK2A1NR1H4PPARGPPARA
SCHEMBL7369363 0.79 TP53 (0.50) RAB9ALMNAMAPTNPC1SMN1; SMN2
SCHEMBL6169264 0.79 HPGD (0.55) HPGDHTTRAB9ALMNAMAPT
SCHEMBL7370817 0.79 HTT (0.51) HTTRAB9ALMNAMAPTALDH1A1

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