SCHEMBL6205069

SCHEMBL6205069

COC(=O)N(c1cc2c(c3ccccc13)C(CCl)CN2C(=O)OC(C)(C)C)C1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 1/20 0.41
KIT P10721 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
ABL2 P42684 1/20 0.41
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
CETP P11597 1/20 0.31
BRD4 O60885 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL12596982 0.78 ADH1A (0.49) ADH1AKITFLT1FLT4KDR
SCHEMBL12596985 0.78 ADH1A (0.49) ADH1AKITFLT1FLT4KDR
SCHEMBL18089333 0.78 ADH1A (0.65) ADH1AKITFLT1FLT4KDR
SCHEMBL29416531 0.78 ADH1A (0.65) ADH1AKITFLT1FLT4KDR
SCHEMBL1903631 0.78 ADH1A (0.65) ADH1AKITFLT1FLT4KDR
SCHEMBL16781599 0.78 ADH1A (0.65) ADH1AKITFLT1FLT4KDR
SCHEMBL1899623 0.78 ADH1A (0.65) ADH1AKITFLT1FLT4KDR
SCHEMBL6207802 0.77 ADH1A (0.35) ADH1AKITFLT1FLT4KDR
SCHEMBL16847519 0.77 ADH1A (0.48) ADH1AKITFLT1FLT4KDR
SCHEMBL16487040 0.77 ADH1A (0.50) 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