SCHEMBL6205071

SCHEMBL6205071

CC(C)(C)OC(=O)N1CC(CCl)c2c1cc(NC(=O)OCC1c3ccccc3-c3ccccc31)c1ccccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 1/20 0.40
KIT P10721 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
ABL2 P42684 1/20 0.40
EPHX2 P34913 1/20 0.39
BACE1 P56817 1/20 0.39
MDM2 Q00987 1/20 0.36
KMT2A Q03164 2/20 0.35
CHRM3 P20309 6/20 0.35
CASP1 P29466 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
SCHEMBL16942017 1.00 ADH1A (0.40) ADH1AKITFLT1FLT4KDR
SCHEMBL29723333 0.91 BACE1 (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL18086012 0.91 BACE1 (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL16942012 0.85 ADH1A (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL21297107 0.83 ADH1A (0.39) ADH1AKITFLT1FLT4KDR
SCHEMBL19607324 0.82 EPHX2 (0.39) ADH1AKITFLT1FLT4KDR
SCHEMBL16847519 0.81 ADH1A (0.48) ADH1AKITFLT1FLT4KDR
SCHEMBL16933070 0.81 BACE1 (0.37) ADH1AKITFLT1FLT4KDR
SCHEMBL18064565 0.80 ADH1A (0.38) ADH1AKITFLT1FLT4KDR
SCHEMBL18064566 0.80 ADH1A (0.38) ADH1AKITFLT1FLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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