SCHEMBL9212313

SCHEMBL9212313

C[CH]C1CN(C(=O)OC)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX4 Q99571 2/20 0.42
BCHE P06276 1/20 0.39
P2RY1 P47900 1/20 0.38
CNR2 P34972 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
KIF11 P52732 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CACNA1G O43497 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL9212320 0.77 NOTUM (0.44) NOTUMMEN1KMT2AP2RX4BCHE
SCHEMBL28550204 0.76 KDM4E (0.42) NOTUMMEN1KMT2AP2RX4CNR2
SCHEMBL9687940 0.75 NOTUM (0.43) NOTUMMEN1KMT2AP2RX4BCHE
SCHEMBL14543698 0.74 NOTUM (0.64) NOTUMDRD2
SCHEMBL8265211 0.70 NOTUM (0.43) NOTUMMEN1KMT2ACNR2ALDH1A1
SCHEMBL14543732 0.69 PRKACA (0.47) NOTUMMEN1KMT2AP2RX4P2RY1
SCHEMBL26517033 0.69 NOTUM (0.49) NOTUMMEN1KMT2AP2RX4ALDH1A1
SCHEMBL28793814 0.68 NOTUM (0.44) NOTUMMEN1KMT2AP2RY1CNR2
SCHEMBL14412436 0.68 NOTUM (0.59) NOTUMDRD2
SCHEMBL3695799 0.67 KDM1A (0.44) NOTUMMEN1KMT2ABCHEP2RY1

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
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed