SCHEMBL8428965

SCHEMBL8428965

Cc1cc(C)cc([Se]c2c(C(C)C)c(=O)[nH]c(=O)n2CCCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
DAO P14920 1/20 0.42
RECQL P46063 1/20 0.41
MDM2 Q00987 1/20 0.41
ATM Q13315 2/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
TSSK1B Q9BXA7 1/20 0.38
CYP2C9 P11712 1/20 0.37

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
SCHEMBL8426875 0.90 MEN1 (0.47) MEN1KMT2ADAORECQLMDM2
SCHEMBL8427006 0.85 MAPT (0.41) MEN1KMT2AATMHPGDSMN1; SMN2
SCHEMBL8430885 0.84 MEN1 (0.44) MEN1KMT2ADAORECQLMDM2
SCHEMBL7533019 0.82 ALDH1A1 (0.53) MEN1KMT2ADAOHPGDXBP1
SCHEMBL8427032 0.80 SMN1; SMN2 (0.46) MEN1KMT2AATMHPGDSMN1; SMN2
SCHEMBL7535244 0.76 ALDH1A1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL7533007 0.76 ALDH1A1 (0.45) MEN1KMT2AHPGDSMN1; SMN2NPSR1
SCHEMBL8430907 0.75 GAA (0.36) MEN1KMT2ARECQLHPGDSMN1; SMN2
SCHEMBL8430914 0.74 ALDH1A1 (0.51) MEN1KMT2ADAOHPGDXBP1
SCHEMBL7540908 0.74 MEN1 (0.53) MEN1KMT2ADAORECQLMDM2

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
EP-0748316-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-12-18 EP claimed
WO-1995023138-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES SUNKYONG INDUSTRIES CO., LTD. (KR) 1995-08-31 WO claimed
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
EP-0748316-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-12-18 EP disclosed
WO-1995023138-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES SUNKYONG INDUSTRIES CO., LTD. (KR) 1995-08-31 WO disclosed