SCHEMBL4011876

SCHEMBL4011876

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.69
FUT5 Q11128 1/20 0.68
KRAS P01116 2/20 0.65
NT5E P21589 1/20 0.64
RNASEL Q05823 4/20 0.63
P2RY1 P47900 4/20 0.62
P2RX3 P56373 3/20 0.62
P2RY6 Q15077 2/20 0.62
ENPP1 P22413 2/20 0.62
P2RX1 P51575 2/20 0.62
P2RY11 Q96G91 1/20 0.62
P2RX4 Q99571 1/20 0.62
P2RY2 P41231 1/20 0.61
P2RY4 P51582 1/20 0.61
P2RY12 Q9H244 1/20 0.60
POLB P06746 1/20 0.57
DCPS Q96C86 1/20 0.56
P2RX2 Q9UBL9 1/20 0.56

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
SCHEMBL1533923 1.00 TGM2 (0.69) TGM2FUT5KRASNT5ERNASEL
SCHEMBL25567646 1.00 TGM2 (0.69) TGM2FUT5KRASNT5ERNASEL
SCHEMBL1533928 1.00 TGM2 (0.69) TGM2FUT5KRASNT5ERNASEL
SCHEMBL6512071 1.00 TGM2 (0.69) TGM2FUT5KRASNT5ERNASEL
SCHEMBL23176397 0.99 TGM2 (0.70) TGM2FUT5KRASNT5ERNASEL
SCHEMBL21067995 0.99 TGM2 (0.70) TGM2FUT5KRASNT5ERNASEL
SCHEMBL21256201 0.99 TGM2 (0.70) TGM2FUT5KRASNT5ERNASEL
SCHEMBL877839 0.99 TGM2 (0.70) TGM2FUT5KRASNT5ERNASEL
SCHEMBL234673 0.99 TGM2 (0.70) TGM2FUT5KRASNT5ERNASEL
SCHEMBL1622482 0.97 TGM2 (0.69) TGM2FUT5KRASNT5ERNASEL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372612-B2 Production of four carbon alcohols using improved strain BUTAMAX(TM) ADVANCED BIOFUELS LLC (US) 2013-02-12 US disclosed
US-20090203139-A1 PRODUCTION OF FOUR CARBON ALCOHOLS USING IMPROVED STRAIN E.I. DU PONT DE NEMOURS AND COMPANY 2009-08-13 US disclosed
WO-2009082681-A1 PRODUCTION OF FOUR CARBON ALCOHOLS USING IMPROVED STRAIN E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-02 WO disclosed