SCHEMBL7465747

SCHEMBL7465747

CC(C)(C)OC(=O)n1cc(CCl)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
HTR6 P50406 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
BRD4 O60885 1/20 0.39
EPHX1 P07099 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
CDK2 P24941 4/20 0.37
ALOX5 P09917 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL16727043 0.82 L3MBTL1 (0.48) L3MBTL1HTR6ALDH1A1BRD4EPHX1
SCHEMBL16727042 0.81 L3MBTL1 (0.47) L3MBTL1HTR6EPHX1SMN1; SMN2
SCHEMBL30458168 0.81 L3MBTL1 (0.47) L3MBTL1HTR6BRD4EPHX1
SCHEMBL16727069 0.80 L3MBTL1 (0.46) L3MBTL1HTR6BRD4EPHX1
SCHEMBL31242702 0.80 PPARG (0.47) L3MBTL1HTR6MAPTALDH1A1BRD4
SCHEMBL13679140 0.80 HTR6 (0.50) L3MBTL1HTR6MAPTALDH1A1LMNA
SCHEMBL27807484 0.79 MAPT (0.40) L3MBTL1HTR6MAPTALDH1A1LMNA
SCHEMBL16727066 0.79 L3MBTL1 (0.46) L3MBTL1HTR6MAPTEPHX1
SCHEMBL2845690 0.79 L3MBTL1 (0.47) L3MBTL1HTR6MAPTALDH1A1LMNA
SCHEMBL22153097 0.78 L3MBTL1 (0.67) L3MBTL1HTR6BRD4EPHX1

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-0944596-B1 1-ACRYLOYLINDOLINE DERIVATIVES AND THEIR USE AS PRODRUGS OF ANTICANCER AGENTS AUCKLAND UNISERVICES LTD (NZ) 2002-10-16 EP disclosed
US-6251933-B1 AMINO DERIVATIVES OF THE GENERAL CLASS OF CYCLOPROPYLINDOLES AND THEIR SECO PRECURSORS, AND USEFUL AS PRODRUG FOR ANTIBODY-DIRECTED ENZYME-PRODRUG THERAPY AND GENE-DIRECTED ENZYME-PRODRUG THERAPY FOR CANCER THE CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2001-06-26 US disclosed
EP-0944596-A1 SECO PRECURSORS OF CYCLOPROPYLINDOLINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-09-29 EP disclosed
WO-1998025898-A1 SECO PRECURSORS OF CYCLOPROPYLINDOLINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-06-18 WO disclosed