SCHEMBL7533007

SCHEMBL7533007

Cc1cc(C)cc([Se]c2c(C(C)C)c(=O)[nH]c(=S)n2COCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TK1 P04183 1/20 0.34
KMT2A Q03164 3/20 0.32
TACR1 P25103 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
MAPT P10636 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
MEN1 O00255 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HPGD P15428 2/20 0.31
POLB P06746 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL8426834 0.92 ALDH1A1 (0.43) ALDH1A1TK1KMT2ACYP2C9CYP2C19
SCHEMBL7533019 0.91 ALDH1A1 (0.53) ALDH1A1TK1KMT2ATACR1CYP2C9
SCHEMBL8426874 0.91 ALDH1A1 (0.46) ALDH1A1TK1KMT2ACYP2C9CYP2C19
SCHEMBL7532995 0.86 GAA (0.32)
SCHEMBL7534059 0.85 ALDH1A1 (0.46) ALDH1A1TK1KMT2ACYP2C9CYP2C19
SCHEMBL8430914 0.83 ALDH1A1 (0.51) ALDH1A1TK1KMT2ACYP2C9CYP2C19
SCHEMBL8430830 0.83 PNP (0.33) HSD17B10
SCHEMBL8429092 0.81 ALDH1A1 (0.55) ALDH1A1TK1KMT2ACYP2C9CYP2C19
SCHEMBL8429213 0.80 ALDH1A1 (0.36) ALDH1A1KMT2ACYP2C9CYP2C19MAPT
SCHEMBL8428993 0.80 KDM4E (0.34) ALDH1A1CYP2C9CYP2C19MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748316-B1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES SUNKYONG IND LTD (KR) 2002-05-08 EP disclosed
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