SCHEMBL4748743

SCHEMBL4748743

COc1cc(Nc2c(C(=O)OC(=N)CCC(=O)OC(=O)c3ccc(F)c(F)c3Nc3ccc(Cl)c(OC)c3)ccc(F)c2F)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.38
CSF1R P07333 6/20 0.38
GRM4 Q14833 2/20 0.37
MCHR1 Q99705 1/20 0.35
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAP2K1 Q02750 1/20 0.34
HPGD P15428 1/20 0.34
ERBB2 P04626 1/20 0.34
ERBB4 Q15303 1/20 0.34
BRD4 O60885 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 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
SCHEMBL4752089 0.79 EGFR (0.53) EGFRCSF1RGRM4MAPTRAB9A
SCHEMBL4748557 0.75 MAP2K1 (0.48) EGFRCSF1RGRM4MCHR1MAP2K1
SCHEMBL4748744 0.75 EGFR (0.39) EGFRCSF1RGRM4MAPTRAB9A
SCHEMBL4748555 0.72 MAPT (0.40) EGFRCSF1RGRM4MAPTHDAC6
SCHEMBL14022253 0.71 RAPGEF4 (0.48) EGFRCSF1RGRM4MAPTERBB2
SCHEMBL13529659 0.67 MAP2K1 (0.52) EGFRCSF1RGRM4MAPTMAP2K1
SCHEMBL4786865 0.63 CSF1R (0.43) CSF1RGRM4MCHR1MAPTRAB9A
SCHEMBL31366880 0.62 MAPT (0.54) MAPTRAB9ANPC1SMN1; SMN2MAP2K1
SCHEMBL6553046 0.61 HSD17B2 (0.56) RAB9AHDAC6SMN1; SMN2
SCHEMBL17396634 0.61 EGFR (0.51) EGFRGRM4MAPTRAB9ANPC1

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-2008132464-A2 MEK5 AND RELATED PROTEINS AS BIOMARKERS OF NEURODEGENERATIVE DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2008-11-06 WO disclosed