SCHEMBL10824469

SCHEMBL10824469

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(Br)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 3/20 0.63
P2RY2 P41231 2/20 0.63
DNPH1 O43598 1/20 0.63
PRKAB2 O43741 1/20 0.63
TRPM2 O94759 1/20 0.63
LDHA P00338 1/20 0.63
ADRB2 P07550 1/20 0.63
FBP1 P09467 1/20 0.63
SRC P12931 1/20 0.63
ADORA1 P30542 1/20 0.63
PRKAG1 P54619 1/20 0.63
PRKAA2 P54646 1/20 0.63
PDE4D Q08499 1/20 0.63
KCNH2 Q12809 1/20 0.63
PRKAA1 Q13131 1/20 0.63
PDE3A Q14432 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TAS1R3 Q7RTX0 1/20 0.63
TAS1R1 Q7RTX1 1/20 0.63
P2RY11 Q96G91 1/20 0.63

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
SCHEMBL7231385 0.89 P2RY2 (0.64) P2RY1P2RY2DNPH1PRKAB2TRPM2
SCHEMBL756245 0.89 P2RY2 (0.64) P2RY1P2RY2DNPH1PRKAB2TRPM2
SCHEMBL5320373 0.88 P2RY2 (0.63) P2RY1P2RY2DNPH1PRKAB2TRPM2
Water SCHEMBL443839 0.88 P2RY2 (0.63) P2RY1P2RY2DNPH1PRKAB2TRPM2
SCHEMBL2791974 0.88 P2RY2 (0.63) P2RY1P2RY2DNPH1PRKAB2TRPM2
SCHEMBL16108843 0.86 P2RY2 (0.61) P2RY1P2RY2DNPH1PRKAB2TRPM2
SCHEMBL749502 0.85 P2RY2 (0.60) P2RY1P2RY2DNPH1PRKAB2TRPM2
SCHEMBL1332843 0.85 AHCY (0.60) P2RY1P2RY2DNPH1PRKAB2TRPM2
SCHEMBL4261443 0.84 P2RY2 (0.64) P2RY1P2RY2DNPH1PRKAB2TRPM2
SCHEMBL27779375 0.83 AHCY (0.61) P2RY1P2RY2DNPH1PRKAB2TRPM2

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
JP-61093120-A None JP disclosed
JP-S6193120-A PREVENTIVE AND REMEDY FOR DISSEMINATED INTRAVASCULAR COAGULATION SYNDROME HORIKOSHI ISAMU 1986-05-12 JP disclosed