SCHEMBL8070452

SCHEMBL8070452

CCOC(=O)c1c2c3c(cccc3n1C)C(O)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.39
PABPC1 P11940 1/20 0.39
ATM Q13315 1/20 0.37
PKM P14618 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
UBE2N P61088 1/20 0.35
ALOX5 P09917 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL8069946 0.93 KMT2A (0.41) KMT2AKDM4EMEN1POLBPABPC1
SCHEMBL8069891 0.86 MEN1 (0.41) KMT2AKDM4EMEN1POLBPABPC1
SCHEMBL8074847 0.82 KMT2A (0.42) KMT2AKDM4EMEN1POLBPABPC1
SCHEMBL8074878 0.77 KMT2A (0.41) KMT2AKDM4EMEN1POLBPABPC1
SCHEMBL8068418 0.77 MEN1 (0.41) KMT2AKDM4EMEN1POLBPABPC1
SCHEMBL8070221 0.76 MEN1 (0.48) KMT2AKDM4EMEN1POLBPABPC1
SCHEMBL8074787 0.75 MTNR1A (0.45) KDM4EALDH1A1TSHRDRD3
SCHEMBL8069930 0.74 MEN1 (0.47) KMT2AKDM4EMEN1POLBPABPC1
SCHEMBL8074803 0.74 MEN1 (0.43) KMT2AKDM4EMEN1POLBPABPC1
SCHEMBL8059244 0.71 DRD2 (0.30)

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-0803501-B1 Substituted guanidine derivatives and their use as Na+/H+ exchange inhibitors SUMITOMO PHARMA (JP) 2000-07-05 EP disclosed
EP-0803501-A1 Substituted guanidine derivatives and their use as Na+/H+ exchange inhibitors SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-29 EP disclosed