SCHEMBL7362601

SCHEMBL7362601

COC(=O)c1ccc(N)nc1.Nc1ccc(CO)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRE P78334 2/20 0.47
GABRA6 Q16445 2/20 0.47
GABRG1 Q8N1C3 2/20 0.47
GABRG3 Q99928 2/20 0.47
GABRQ Q9UN88 2/20 0.47

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
SCHEMBL31532 0.87 MAPK1 (0.65) MAPK1KDM4EL3MBTL1LOXL2GABRP
SCHEMBL29826707 0.87 MAPK1 (0.65) MAPK1KDM4EL3MBTL1LOXL2GABRP
Hydrochloric Acid SCHEMBL2177614 0.86 MAPK1 (0.62) MAPK1KDM4EL3MBTL1LOXL2GABRP
SCHEMBL7443540 0.84 MAPK1 (0.53) MAPK1KDM4EL3MBTL1LOXL2HDAC1
SCHEMBL642783 0.79
SCHEMBL30811769 0.79
SCHEMBL25305229 0.77 RAB9A (0.60) MAPK1L3MBTL1LOXL2SMN1; SMN2TP53
Tetrahydrofuran SCHEMBL28037003 0.77 MAPK1 (0.51) MAPK1KDM4EL3MBTL1GABRPGABRD
SCHEMBL12970275 0.77 SMN1; SMN2 (0.55) MAPK1KDM4EL3MBTL1LOXL2SMN1; SMN2
SCHEMBL11125851 0.77 SMN1; SMN2 (0.61) KDM4ELOXL2SMN1; SMN2TP53CYP4A11

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-1993007141-A1 HETEROCYCLIC 3-PHENYLPYRROLIDIN-2-ONES, THEIR PREPARATION AND USE FOR THE MANUFACTURE OF A MEDICAMENT FOR INHIBITING TUMOR NECROSIS FACTOR PRODUCTION SMITHKLINE BEECHAM CORPORATION (US) 1993-04-15 WO disclosed