SCHEMBL7367665

SCHEMBL7367665

CC(C)(C)OC(=O)c1cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3NC(=O)c3ccc(C(C)(C)C)cc3)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
RXFP1 Q9HBX9 2/20 0.44
NR1H4 Q96RI1 10/20 0.44
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARG P37231 5/20 0.42
PPARA Q07869 4/20 0.42

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
SCHEMBL7368037 0.94 HPGD (0.51) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL7367092 0.86 NR1H4 (0.46) NR1H4PPARGPPARA
SCHEMBL7370555 0.86 NR1H4 (0.59) SMN1; SMN2RXFP1NR1H4PPARGPPARA
SCHEMBL7366501 0.84 F10 (0.47) ALDH1A1HPGDNR1H4MAPK1PPARG
SCHEMBL7372132 0.82 NR1H4 (0.43) RAB9AMEN1KMT2AALDH1A1HTT
SCHEMBL7365886 0.82 RAB9A (0.47) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL6172966 0.82 NR1H4 (0.46) MAPTMEN1KMT2ASMN1; SMN2NR1H4
SCHEMBL6177517 0.82 MAPT (0.42) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL6170045 0.82 ESR1 (0.54) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL6171764 0.80 RAB9A (0.53) RAB9AMAPTMEN1KMT2ANPC1

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