SCHEMBL8760934

SCHEMBL8760934

CC(C)c1c(Sc2ccccc2)n(COCCO)c(=S)[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.37
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP2C19 P33261 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP2C9 P11712 1/20 0.35
PNP P00491 2/20 0.34
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
MPO P05164 2/20 0.32
OPRM1 P35372 1/20 0.32
ALOX12 P18054 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TPO P07202 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8760732 0.89 UPP1 (0.46) UPP1ALDH1A1CYP2C19CYP2C9PNP
SCHEMBL8760191 0.86 PNP (0.33) PNPTSHR
SCHEMBL2036799 0.86 UPP1 (0.39) UPP1KDM4EMAPTALDH1A1CYP2C19
SCHEMBL8760255 0.84 UPP1 (0.40) UPP1PNPMEN1KMT2ASMN1; SMN2
SCHEMBL8760939 0.81 UPP1 (0.39) UPP1KDM4EMAPTALDH1A1CYP2C19
SCHEMBL8428848 0.79 UPP1 (0.37) UPP1KDM4EMAPTALDH1A1CYP2C19
SCHEMBL8760050 0.75 UPP1 (0.35) UPP1TDP1PNPMEN1KMT2A
Hept SCHEMBL384288 0.74 UPP1 (0.48) UPP1ALDH1A1CYP2C19CYP2C9PNP
SCHEMBL9354034 0.74 UPP1 (0.46) UPP1ALDH1A1HPGDTSHRMAPK1
SCHEMBL9353985 0.73 UPP1 (0.49) UPP1ALDH1A1CYP2C19CYP2C9PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5318972-A Active against retroviruses, human t-cell leukemia/lymphoma viruses MITSUBISHI KASEI CORPORATION (JP) 1994-06-07 US claimed
EP-0449726-A1 Pyrimidine nucleoside derivative and antiviral agent containing the derivative as active ingredient Mitsubishi Chemical Corporation (JP) 1991-10-02 EP claimed
EP-0449726-B1 Pyrimidine nucleoside derivative and antiviral agent containing the derivative as active ingredient MITSUBISHI CHEM CORP (JP) 1997-06-11 EP disclosed
US-5318972-A Active against retroviruses, human t-cell leukemia/lymphoma viruses MITSUBISHI KASEI CORPORATION (JP) 1994-06-07 US disclosed
EP-0449726-A1 Pyrimidine nucleoside derivative and antiviral agent containing the derivative as active ingredient Mitsubishi Chemical Corporation (JP) 1991-10-02 EP disclosed