SCHEMBL18518641

SCHEMBL18518641

CCOC(=O)c1c(Nc2ccc(C)cc2F)n(C)c(=O)c2c(C)coc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 9/20 0.42
MAP2K2 P36507 4/20 0.42
MAP2K5 Q13163 1/20 0.39
EIF2AK1 Q9BQI3 1/20 0.39
TSHR P16473 1/20 0.37
LMNA P02545 3/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRB P10828 1/20 0.36
SPR P35270 1/20 0.35
CISD2 Q8N5K1 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL5552443 0.91 MAP2K1 (0.52) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL18519079 0.89 LMNA (0.39) LMNAGAAPOLBSMN1; SMN2NPC1
SCHEMBL18519076 0.88 MAP2K1 (0.40) MAP2K1MAP2K2MAP2K5EIF2AK1LMNA
SCHEMBL18518645 0.84 MAP2K1 (0.55) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL5553673 0.81 MAP2K1 (0.44) MAP2K1MAP2K2MAP2K5EIF2AK1LMNA
SCHEMBL2718815 0.78 MAP2K1 (0.49) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL18519160 0.76 MAP2K1 (0.41) MAP2K1MAP2K2MAP2K5EIF2AK1TSHR
SCHEMBL18518957 0.76 POLB (0.37) GAAPOLBL3MBTL1THRBKDM4E
SCHEMBL18518642 0.76 MAP2K1 (0.39) MAP2K1MAP2K2MAP2K5EIF2AK1LMNA
SCHEMBL393588 0.76 MAP2K1 (0.49) MAP2K1MAP2K2TSHRPOLBSMN1; 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
EP-2635587-B1 6-ARYLAMINO PYRIDONE CARBOXAMIDE AS MEK INHIBITORS CENTAURUS BIOPHARMA CO LTD (CN) 2017-02-15 EP disclosed