SCHEMBL7969063

SCHEMBL7969063

COc1ccc2c(c1)NCC2C(=O)C(=O)N(CC(=O)NCCN1CCCC1)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.39
KMT2A Q03164 4/20 0.39
AHCY P23526 1/20 0.39
PAX8 Q06710 1/20 0.39
ACHE P22303 2/20 0.38
TSHR P16473 1/20 0.38
MITF O75030 1/20 0.37
RAD52 P43351 1/20 0.37
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL7938408 0.94 CYP2C9 (0.43) KDM4EPOLBKMT2AGAAALDH1A1
SCHEMBL7937735 0.89 KMT2A (0.41) POLBKMT2AGAAALDH1A1
SCHEMBL7951892 0.89 POLB (0.39) POLBPAX8MITFALDH1A1HPGD
SCHEMBL7944071 0.87 HTT (0.40) POLBALDH1A1HPGD
SCHEMBL7937873 0.86 HTR2A (0.41) KDM4EPOLBKMT2AALDH1A1MAPT
SCHEMBL7948016 0.86 POLB (0.38) KDM4EPOLBKMT2APAX8MITF
SCHEMBL7992668 0.86 SIGMAR1 (0.45) TSHR
SCHEMBL7945520 0.85 NPC1 (0.39) KDM4EPOLBKMT2AALDH1A1MAPT
SCHEMBL7982206 0.85 POLB (0.36) POLBKMT2APAX8MITFALDH1A1
SCHEMBL7946743 0.84 MITF (0.45) CYP2D6KDM4EPOLBKMT2APAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed