SCHEMBL4752089

SCHEMBL4752089

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.53
MAP2K1 Q02750 2/20 0.52
MAP2K2 P36507 1/20 0.46
CSF1R P07333 1/20 0.45
GRM4 Q14833 2/20 0.45
IDO1 P14902 2/20 0.44
TDO2 P48775 2/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
CLCN2 P51788 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL13529659 0.85 MAP2K1 (0.52) EGFRMAP2K1MAP2K2CSF1RGRM4
SCHEMBL4748557 0.83 MAP2K1 (0.48) EGFRMAP2K1MAP2K2CSF1RGRM4
SCHEMBL4748744 0.81 EGFR (0.39) EGFRMAP2K1CSF1RGRM4MAPT
SCHEMBL14022253 0.81 RAPGEF4 (0.48) EGFRCSF1RGRM4IDO1TDO2
SCHEMBL4748743 0.79 EGFR (0.38) EGFRMAP2K1CSF1RGRM4IDO1
SCHEMBL4748555 0.79 MAPT (0.40) EGFRCSF1RGRM4IDO1TDO2
SCHEMBL5989971 0.76 MAP2K1 (0.48) MAP2K1MAP2K2MAPTMEN1LMNA
SCHEMBL14223038 0.74 KMT2A (0.60) EGFRMAP2K1MAP2K2IDO1TDO2
SCHEMBL6035217 0.73 MAP2K1 (0.73) MAP2K1MAP2K2HDAC6
SCHEMBL15698772 0.72 MAP2K1 (0.56) MAP2K1MAP2K2MAPTMEN1KMT2A

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