SCHEMBL8447170

SCHEMBL8447170

Nc1nc2c(ncn2CC2CC2)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.62
PNP P00491 6/20 0.59
TK1 P04183 2/20 0.59
BLM P54132 2/20 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
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.55
NFKB1 P19838 1/20 0.55
VCP P55072 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL6270960 0.95 HPRT1 (0.66) HPRT1PNPTK1BLMUSP2
SCHEMBL3462675 0.93 HPRT1 (0.64) HPRT1PNPTK1BLMUSP2
Hydrochloric Acid SCHEMBL17186625 0.92 HPRT1 (0.63) HPRT1PNPTK1BLMUSP2
SCHEMBL6268516 0.86 HPRT1 (0.55) HPRT1PNPTK1BLMUSP2
Hydrochloric Acid SCHEMBL17186260 0.85 PNP (0.62) HPRT1PNPTK1BLMUSP2
SCHEMBL9369448 0.83 TK1 (0.59) HPRT1PNPTK1BLMUSP2
SCHEMBL9960816 0.82 PNP (0.68) HPRT1PNPTK1BLMUSP2
SCHEMBL29286376 0.82 TK1 (0.76) HPRT1PNPTK1BLMUSP2
Hydrochloric Acid SCHEMBL17186500 0.82 PNP (0.61) HPRT1PNPTK1BLMUSP2
SCHEMBL8922569 0.81 TK1 (0.57) HPRT1PNPTK1BLMUSP2

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
EP-0502690-B1 Cyclopropane derivative AJINOMOTO KK (JP) 1999-12-01 EP disclosed