SCHEMBL9109566

SCHEMBL9109566

O=C(O)CNCCc1c[nH]c(=S)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM3B Q7LBC6 1/20 0.45
ALDH1A1 P00352 1/20 0.38
HPRT1 P00492 1/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 1/20 0.31
PNP P00491 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL104627 0.85 KMT2A (0.48) KMT2ATDP1KDM3BALDH1A1MEN1
SCHEMBL1227831 0.76 KMT2A (0.62) KMT2ATDP1KDM3BALDH1A1MEN1
5-Bromouracil SCHEMBL639925 0.74 KMT2A (0.39) KMT2ATDP1KDM3BALDH1A1MEN1
SCHEMBL3537530 0.74 KMT2A (0.51) KMT2ATDP1KDM3BALDH1A1MEN1
SCHEMBL9108064 0.72 KMT2A (0.57) KMT2ATDP1KDM3BALDH1A1MEN1
SCHEMBL21345745 0.70 KMT2A (0.54) KMT2ATDP1KDM3BALDH1A1MEN1
SCHEMBL18653592 0.69 KMT2A (0.37) KMT2ATDP1KDM3B
SCHEMBL11458310 0.69 DAO (0.50) KMT2ATDP1KDM3BALDH1A1MEN1
SCHEMBL101944 0.69 LMNA (0.41) GAA
SCHEMBL18640323 0.68 KMT2A (0.60) KMT2ATDP1KDM3BMEN1GAA

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
EP-0558634-A4 TRIPLEX-FORMING OLIGOMERS CONTAINING MODIFIED BASES GILEAD SCIENCES INC (US) 1995-06-28 EP disclosed
EP-0558634-A1 TRIPLEX-FORMING OLIGOMERS CONTAINING MODIFIED BASES GILEAD SCIENCES, INC. (US) 1993-09-08 EP disclosed