SCHEMBL10918874

SCHEMBL10918874

Nc1nc2c(ncn2CC(=O)C(S)CO)c(=O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
CYP3A4 P08684 1/20 0.61
NFKB1 P19838 1/20 0.61
VCP P55072 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HIF1A Q16665 1/20 0.61
TK1 P04183 2/20 0.58
PNP P00491 6/20 0.57
USP2 O75604 1/20 0.57
TSHR P16473 1/20 0.57
EDNRA P25101 1/20 0.57
HTR2A P28223 1/20 0.57
RECQL P46063 1/20 0.57
HBB P68871 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HPRT1 P00492 7/20 0.52

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
SCHEMBL10919931 0.87 BLM (0.62) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL6268087 0.84 TK1 (0.58) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL455494 0.81 PNP (0.64) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL11030045 0.80 TK1 (0.55) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL6265339 0.80 TK1 (0.62) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL10916952 0.80 TK1 (0.66) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL13397350 0.79 TK1 (0.72) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL10917250 0.79 TK1 (0.65) BLMMEN1ALDH1A1LMNACYP3A4
Tiviciclovir SCHEMBL6944256 0.79 BLM (0.67) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL24420506 0.78 HPRT1 (0.67) BLMMEN1ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0103552-B1 NOVEL DERIVATIVES OF GUANINE Astra Läkemedel Aktiebolag (SE) 1986-05-07 EP claimed
EP-0112364-A1 NOVEL DERIVATIVES OF GUANINE II Astra Läkemedel Aktiebolag (SE) 1984-07-04 EP claimed
EP-0103552-A2 Novel derivatives of guanine Astra Läkemedel Aktiebolag (SE) 1984-03-21 EP claimed
WO-1984000168-A1 NOVEL DERIVATIVES OF GUANINE II ASTRA LAEKEMEDEL AB (SE) 1984-01-19 WO claimed
EP-0103552-B1 NOVEL DERIVATIVES OF GUANINE Astra Läkemedel Aktiebolag (SE) 1986-05-07 EP disclosed
EP-0112364-A1 NOVEL DERIVATIVES OF GUANINE II Astra Läkemedel Aktiebolag (SE) 1984-07-04 EP disclosed
EP-0103552-A2 Novel derivatives of guanine Astra Läkemedel Aktiebolag (SE) 1984-03-21 EP disclosed
WO-1984000168-A1 NOVEL DERIVATIVES OF GUANINE II ASTRA LAEKEMEDEL AB (SE) 1984-01-19 WO disclosed