SCHEMBL28413613

SCHEMBL28413613

Cc1ccccc1-c1c[nH]c(=S)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.41
SIRT1 Q96EB6 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM3B Q7LBC6 1/20 0.40
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
BRD4 O60885 1/20 0.37
RXFP1 Q9HBX9 3/20 0.36
PRNP P04156 2/20 0.36
PPARG P37231 2/20 0.36
NCOR2 Q9Y618 1/20 0.36
PKM P14618 1/20 0.36
MAPK10 P53779 1/20 0.36
NCOA2 Q15596 1/20 0.36

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
SCHEMBL3557794 0.82 ALDH1A1 (0.59) ALDH1A1GAAKMT2ALMNABRD4
SCHEMBL638473 0.77 GAA (0.55) DCUN1D1ALDH1A1KDM4EGAAGFER
SCHEMBL7710988 0.77 ALDH1A1 (0.67) ALDH1A1KDM3BKDM4EGAAGFER
SCHEMBL13495311 0.74 DCUN1D1 (0.42) DCUN1D1ALDH1A1KDM4EKMT2ATDP1
SCHEMBL28418534 0.74 UBE2N (0.47) UBE2NSIRT1ALDH1A1KDM3BKDM4E
SCHEMBL25418259 0.73 ATAD2 (0.60) UBE2NALDH1A1KDM3BKDM4EGAA
SCHEMBL25450 0.73
SCHEMBL30283346 0.73 PARP1 (0.58) KDM4EBRD4NOTUMMAPK14
SCHEMBL28421424 0.70 UBE2N (0.43) UBE2NALDH1A1KDM3BKDM4EGAA
SCHEMBL28563542 0.68 NPC1 (0.47) ALDH1A1KDM4EGAAKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109651267-B Method for preparing 5-sulfur/selenium modified uracil derivative 中国科学院化学研究所 2020-05-19 CN disclosed