SCHEMBL6207233

SCHEMBL6207233

CC(C)(C)OC(=O)Nc1cc2c(c3ccccc13)C(CCl)CN2C(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.45
KIT P10721 2/20 0.45
FLT1 P17948 2/20 0.45
KDR P35968 2/20 0.45
ABL2 P42684 2/20 0.45
FLT4 P35916 1/20 0.45
RXFP1 Q9HBX9 1/20 0.35
BRD4 O60885 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RORC P51449 8/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
BRD9 Q9H8M2 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
NR1I3 Q14994 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6204423 0.80 ALDH1A1 (0.40) ADH1AKITFLT1KDRABL2
SCHEMBL6204431 0.80 ALDH1A1 (0.40) ADH1AKITFLT1KDRABL2
SCHEMBL16847519 0.79 ADH1A (0.48) ADH1AKITFLT1KDRABL2
SCHEMBL3558308 0.79 ADH1A (0.36) ADH1AKITFLT1KDRABL2
SCHEMBL16487233 0.78 ADH1A (0.69) ADH1AKITFLT1KDRABL2
SCHEMBL30373903 0.78 ADH1A (0.69) ADH1AKITFLT1KDRABL2
SCHEMBL16487231 0.78 ADH1A (0.69) ADH1AKITFLT1KDRABL2
SCHEMBL18100030 0.78 ADH1A (0.51) ADH1AKITFLT1KDRABL2
SCHEMBL4591116 0.78 ADH1A (0.53) ADH1AKITFLT1KDRABL2
SCHEMBL16942017 0.77 ADH1A (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 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