SCHEMBL6041235

SCHEMBL6041235

Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.57
PNP P00491 1/20 0.54
NT5E P21589 1/20 0.53
KRAS P01116 2/20 0.53
ALDH1A1 P00352 1/20 0.52
FUT5 Q11128 1/20 0.52
P2RX3 P56373 1/20 0.51
P2RY2 P41231 2/20 0.51
P2RY4 P51582 1/20 0.51
P2RY6 Q15077 1/20 0.51
ENTPD1 P49961 1/20 0.49
MAPT P10636 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL6041237 1.00 TGM2 (0.57) TGM2PNPNT5EKRASALDH1A1
SCHEMBL1762981 0.99 TGM2 (0.57) TGM2PNPNT5EKRASALDH1A1
SCHEMBL1762987 0.99 TGM2 (0.57) TGM2PNPNT5EKRASALDH1A1
SCHEMBL15522523 0.93 PNP (0.58) TGM2PNPNT5EALDH1A1MAPT
SCHEMBL20277567 0.93 PNP (0.58) TGM2PNPNT5EALDH1A1MAPT
SCHEMBL2775572 0.93 PNP (0.58) TGM2PNPNT5EALDH1A1MAPT
SCHEMBL5315091 0.90 TGM2 (0.58) TGM2PNPNT5EKRASFUT5
SCHEMBL5315097 0.90 TGM2 (0.58) TGM2PNPNT5EKRASFUT5
SCHEMBL17893049 0.90 PNP (0.66) TGM2PNPNT5EKRASFUT5
SCHEMBL15794376 0.88 TGM2 (0.59) TGM2PNPNT5EKRASFUT5

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
US-20060073581-A1 Crystal structures of bacterial guanylate kinases AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-04-06 US disclosed
US-20050187718-A1 Recombinant polypeptide comprising amino acid sequence encoded by polynucleotide that hybridizes under stringent conditions to complementary strand of polynucleotide and having at least one biological activity of guanylate kinase from S. pneumoniae; treatment of pneumonia, meningitis, sinusitis AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-08-25 US disclosed