SCHEMBL9686788

SCHEMBL9686788

COc1c(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)[nH]c(=O)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 6/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.39
LMNA P02545 6/20 0.39
HTT P42858 3/20 0.39
GAA P10253 1/20 0.39
USP2 O75604 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL9688018 0.91 MEN1 (0.49) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL9164648 0.85 KMT2A (0.47) ALDH1A1MAPTKMT2AMEN1
SCHEMBL9686909 0.75 KMT2A (0.46) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL9688130 0.72 LMNA (0.43) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL9026198 0.70 LMNA (0.39) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL9687941 0.65 EZH2 (0.40) KMT2AKDM4ESMN1; SMN2MEN1HTT
SCHEMBL1482126 0.63 MAPT (0.73) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL17669252 0.63 MAPT (0.71) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL15801114 0.63 MAPT (0.71) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL9687454 0.62 MEN1 (0.39) ALDH1A1MAPTKMT2AKDM4EMEN1

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