SCHEMBL8428848

SCHEMBL8428848

CC(C)c1c([Se]c2ccccc2)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
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
CYP2C19 P33261 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP2C9 P11712 1/20 0.35
PNP P00491 3/20 0.34
MPO P05164 2/20 0.32
OPRM1 P35372 1/20 0.32
HPGD P15428 2/20 0.31
ALOX12 P18054 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
RXFP1 Q9HBX9 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
EDNRA P25101 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
SCHEMBL8427021 0.89 UPP1 (0.46) UPP1ALDH1A1PNPHPGDPOLB
SCHEMBL9016475 0.89 KDM4E (0.32) UPP1ALDH1A1KDM4EMAPTCYP2C19
SCHEMBL8429213 0.88 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTCYP2C19TDP1
SCHEMBL8430830 0.86 PNP (0.33) PNPUSP2TSHREDNRAHTR2A
SCHEMBL8426874 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTCYP2C19TDP1
SCHEMBL9596822 0.86 UPP1 (0.39) UPP1ALDH1A1KDM4EMAPTPNP
SCHEMBL8426877 0.84 UPP1 (0.40) UPP1ALDH1A1PNPMEN1KMT2A
SCHEMBL8760939 0.84 UPP1 (0.39) UPP1ALDH1A1KDM4EMAPTCYP2C19
SCHEMBL8426905 0.83 TDP1 (0.36) ALDH1A1KDM4EMAPTCYP2C19TDP1
SCHEMBL8760934 0.79 UPP1 (0.37) UPP1ALDH1A1KDM4EMAPTCYP2C19

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
US-5889013-A REACTING AN URACIL COMPOUND WITH N, O-BIS/TRIMETHYLSILYL/ACETAMIDE FOLLOWED BY TETRABUTYLAMMONIUM IODIDE AND CHLOROMETHYL ETHER COMPOUND AND THEN REACTING WITH ARYL SELENOL IN A BASE SUNKYONG INDUSTRIES CO., INC. (KR) 1999-03-30 US disclosed
WO-1995023138-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES SUNKYONG INDUSTRIES CO., LTD. (KR) 1995-08-31 WO disclosed