SCHEMBL9317345

SCHEMBL9317345

O=C1CC(=O)c2cccnc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
ABL1 P00519 1/20 0.39
PLCG1 P19174 1/20 0.39
CES1 P23141 1/20 0.39
PAX8 Q06710 1/20 0.39
RIN1 Q13671 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
CDC25B P30305 3/20 0.36
PTPRC P08575 2/20 0.36
S100A4 P26447 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
PTPN13 Q12923 1/20 0.36
P2RX7 Q99572 1/20 0.34

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
SCHEMBL651524 0.78 MAOB (0.44) CES1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL18013302 0.77 ABCC4 (0.43) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL653617 0.74 MAPT (0.39) MEN1KMT2AGAALMNAMAPT
SCHEMBL654275 0.74 MAPT (0.39) MEN1KMT2ACDC25BS100A4LMNA
SCHEMBL3294825 0.73 TDP1 (0.42) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL652977 0.73 ABCC4 (0.42) GAALMNAMAPTSMN1; SMN2
SCHEMBL655918 0.72 LMNA (0.38) MEN1THRBKMT2AGAALMNA
Hydrochloric Acid SCHEMBL4505546 0.72 TDP1 (0.41) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL655182 0.71 CYP19A1 (0.40) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL1404621 0.70 GRM5 (0.48) TDP1TDP2NSD2ABL1PLCG1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292735-A Cyclic amide derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
US-5179093-A Viricides SCHERING CORPORATION (US) 1993-01-12 US disclosed