SCHEMBL5329670

SCHEMBL5329670

COc1cc(F)cc(C)c1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.50
POLB P06746 3/20 0.46
MKNK2 Q9HBH9 1/20 0.43
HSD17B10 Q99714 1/20 0.42
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A9 P48067 1/20 0.38
TSHR P16473 1/20 0.37
APOBEC3A P31941 1/20 0.37
HTT P42858 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
NNMT P40261 1/20 0.37
CSF1R P07333 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
SCHEMBL4778228 0.84 CA12 (0.46) MAP2K1POLBKDM4ETDP1MAPT
SCHEMBL16510666 0.84 CYP3A4 (0.51) MAP2K1GAACYP3A4SLC6A9HTT
SCHEMBL17124305 0.82 POLB (0.48) MAP2K1POLBKDM4EMAPTCYP1A2
SCHEMBL3019239 0.82 CYP3A4 (0.42) MAP2K1KDM4EMAPTL3MBTL1HPGD
SCHEMBL347917 0.80 CYP3A4 (0.51) POLBMKNK2HSD17B10GAAKDM4E
SCHEMBL18511839 0.79 SLC6A9 (0.39) MAP2K1POLBKDM4ETDP1MAPT
SCHEMBL2024212 0.79 POLB (0.46) POLBMKNK2HSD17B10GAAKDM4E
SCHEMBL30798286 0.79 POLB (0.46) POLBMKNK2HSD17B10GAAKDM4E
SCHEMBL5329614 0.78 MAP2K1 (0.47) MAP2K1POLBMKNK2KDM4ETDP1
SCHEMBL1004368 0.75 ACHE (0.48) POLBMKNK2HSD17B10GAAKDM4E

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-2007147836-A1 GLYCINE TRANSPORTER INHIBITING COMPOUNDS AND USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-12-27 WO disclosed