SCHEMBL4364141

SCHEMBL4364141

Nc1nc2ncn(CCSCCO)c2c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 5/20 0.47
TK1 P04183 2/20 0.45
BLM P54132 2/20 0.42
USP2 O75604 1/20 0.42
PNP P00491 1/20 0.42
TSHR P16473 1/20 0.42
EDNRA P25101 1/20 0.42
HTR2A P28223 1/20 0.42
RECQL P46063 1/20 0.42
HBB P68871 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
VCP P55072 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL48362 0.87 TK1 (0.51) HPRT1TK1BLMUSP2PNP
SCHEMBL29286377 0.84 TK1 (0.46) HPRT1TK1BLMUSP2PNP
SCHEMBL7977785 0.83 TK1 (0.64) HPRT1TK1BLMUSP2PNP
SCHEMBL1665132 0.81 TK1 (0.47) HPRT1TK1BLMUSP2PNP
SCHEMBL4364138 0.81 HPRT1 (0.41) HPRT1TK1BLMUSP2PNP
SCHEMBL7768444 0.80 HPRT1 (0.51) HPRT1TK1BLMUSP2PNP
SCHEMBL48223 0.79 PNP (0.42) HPRT1TK1BLMUSP2PNP
SCHEMBL27710751 0.79 ADORA2A (0.52) TK1ALDH1A1MEN1KMT2A
SCHEMBL7984151 0.79 BLM (0.46) HPRT1TK1BLMUSP2PNP
SCHEMBL48267 0.78 ALDH1A1 (0.45) HPRT1TK1PNPALDH1A1SMN1; SMN2

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
US-20090286263-A1 SKIN TAPE STRIPPING: A NON-INVASIVE DIAGNOSTIC STRATEGY FOR DERMAL EXPOSURE TO CYTOTOXIC COMPOUNDS UNITED STATES ARMY AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2009-11-19 US disclosed