SCHEMBL4590751

SCHEMBL4590751

CC(C)(C)OC(=O)N1CC(CO)c2c1cc([N+](=O)[O-])c1ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.36
KIT P10721 2/20 0.36
FLT1 P17948 2/20 0.36
KDR P35968 2/20 0.36
ABL2 P42684 2/20 0.36
FLT4 P35916 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
KDM1A O60341 1/20 0.34
CTSB P07858 2/20 0.34
AR P10275 1/20 0.34
MET P08581 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3558952 0.91 ADH1A (0.47) ADH1AKITFLT1KDRABL2
SCHEMBL6204644 0.87 MET (0.34) ADH1AKITFLT1KDRABL2
SCHEMBL6206384 0.87 MET (0.34) ADH1AKITFLT1KDRABL2
SCHEMBL8105803 0.87 MET (0.34) ADH1AKITFLT1KDRABL2
SCHEMBL6204135 0.83 MAPT (0.38) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL12596983 0.82 ADH1A (0.38) ADH1AKITFLT1KDRABL2
SCHEMBL4591050 0.82 ADH1A (0.38) ADH1AKITFLT1KDRABL2
SCHEMBL6206095 0.80 XDH (0.40) HDAC1HDAC6
SCHEMBL1899359 0.78 TLR9 (0.40) ADH1AKITFLT1KDRABL2
SCHEMBL6325760 0.78 TLR9 (0.40) ADH1AKITFLT1KDRABL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008039087-A2 INDOLINE DERIVATIVES AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2008-04-03 WO disclosed
EP-0938474-B1 CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LTD (NZ) 2005-11-23 EP disclosed
US-6130237-A Condensed N-aclyindoles as antitumor agents CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-10-10 US disclosed