SCHEMBL4748744

SCHEMBL4748744

COc1cc(Nc2c(C(=O)ON3C(=O)CCC3=O)ccc(F)c2F)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
CSF1R P07333 7/20 0.39
GRM4 Q14833 2/20 0.38
MAOB P27338 1/20 0.37
PDE5A O76074 1/20 0.36
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
BRD4 O60885 1/20 0.35
MAP2K1 Q02750 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35

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 0.81 EGFR (0.53) EGFRCSF1RGRM4NPC1MAPT
SCHEMBL4748743 0.75 EGFR (0.38) EGFRCSF1RGRM4NPC1MAPT
SCHEMBL4748557 0.75 MAP2K1 (0.48) EGFRCSF1RGRM4MAP2K1
SCHEMBL14022253 0.72 RAPGEF4 (0.48) EGFRCSF1RGRM4MAPT
SCHEMBL4748555 0.71 MAPT (0.40) EGFRCSF1RGRM4MAPTHDAC6
SCHEMBL4733762 0.70 MAPT (0.49) NPC1MAPTRAB9AHPGD
SCHEMBL13529659 0.68 MAP2K1 (0.52) EGFRCSF1RGRM4MAPTMAP2K1
SCHEMBL14680363 0.67 SMN1; SMN2 (0.47) NPC1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL4805409 0.66 GAA (0.63)
SCHEMBL28684503 0.65 KMT2A (0.43) HPGDSMN1; SMN2

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