SCHEMBL9687431

SCHEMBL9687431

COc1c(C(=O)NC(C(=O)O)c2c[nH]c3ccccc23)[nH]c(=O)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ECE1 P42892 5/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ITGB2 P05107 2/20 0.35
ICAM1 P05362 2/20 0.35
ITGAL P20701 2/20 0.35
ACE P12821 2/20 0.35
KMT2A Q03164 2/20 0.35
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34
MEN1 O00255 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
SCHEMBL9688265 0.82 KMT2A (0.50) MAPTKMT2AMEN1
SCHEMBL9027351 0.80 SMN1; SMN2 (0.44) MAPTKDM4EAPAF1POLBRECQL
SCHEMBL9026342 0.78 MAPT (0.39) MAPTKDM4EAPAF1POLBRECQL
SCHEMBL9025829 0.72 MAPT (0.42) MAPTKDM4EAPAF1POLBRECQL
SCHEMBL9027577 0.72 MAPT (0.41) MAPTKDM4EAPAF1POLBRECQL
SCHEMBL9164176 0.71 GPR84 (0.43) MAPTKDM4EAPAF1POLBRECQL
SCHEMBL9688037 0.71 TSHR (0.49) MAPTKDM4EPOLBKMT2A
SCHEMBL9688033 0.71 HTT (0.49) KDM4EPOLBRECQLL3MBTL1GAA
SCHEMBL9689043 0.70 HPGD (0.39) MAPTKMT2AMEN1PKM
SCHEMBL9025880 0.70 HTR2A (0.39) MAPTKDM4EAPAF1POLBRECQL

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-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed