SCHEMBL28474355

SCHEMBL28474355

O=c1cc(I)n(Cc2ccccc2)c(=O)n1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GSK3A P49840 3/20 0.47
GSK3B P49841 3/20 0.47
ATM Q13315 1/20 0.45
C5AR1 P21730 1/20 0.45
KDM4A O75164 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP13 P45452 1/20 0.44
CCNB2 O95067 1/20 0.44

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
SCHEMBL8985073 0.80 GSK3B (0.67) HPGDKMT2AALDH1A1MEN1KDM4E
SCHEMBL25827018 0.80 HPGD (0.57) HPGDKMT2AALDH1A1MEN1KDM4E
SCHEMBL326104 0.79 MAPT (0.50) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL7835720 0.79 KMT2A (0.69) HPGDKMT2AALDH1A1MEN1KDM4E
SCHEMBL1031237 0.79 HPGD (0.73) HPGDKMT2AALDH1A1MEN1KDM4E
SCHEMBL14229126 0.76 CCR2 (0.58) HPGDKMT2AALDH1A1MEN1KDM4E
SCHEMBL18931677 0.72 HPGD (0.55) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL18931683 0.71 HPGD (0.51) HPGDKMT2AALDH1A1MEN1KDM4E
SCHEMBL7847653 0.71 HPGD (0.51) HPGDKMT2AALDH1A1MEN1KDM4E
SCHEMBL18931674 0.71 ALDH1A1 (0.51) HPGDKMT2AALDH1A1MEN1KDM4E

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
CN-111909100-B Method for preparing uracil and thymine derivatives 武汉大学 2022-03-04 CN disclosed
CN-111909100-A Method for efficiently preparing uracil and thymine derivatives 武汉大学 2020-11-10 CN disclosed