SCHEMBL9750489

SCHEMBL9750489

[N-]=[N+]=NOC(OP(=O)(O)O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 4/20 0.56
P2RY1 P47900 4/20 0.56
SRC P12931 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
DNPH1 O43598 1/20 0.56
PRKAB2 O43741 1/20 0.56
TRPM2 O94759 1/20 0.56
LDHA P00338 1/20 0.56
ADRB2 P07550 1/20 0.56
FBP1 P09467 1/20 0.56
ADORA1 P30542 1/20 0.56
PRKAG1 P54619 1/20 0.56
PRKAA2 P54646 1/20 0.56
PDE4D Q08499 1/20 0.56
KCNH2 Q12809 1/20 0.56
PRKAA1 Q13131 1/20 0.56
PDE3A Q14432 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
P2RY11 Q96G91 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
SCHEMBL3520957 0.92 P2RY2 (0.58) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL16108843 0.86 P2RY2 (0.61) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL749502 0.85 P2RY2 (0.60) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL4261443 0.84 P2RY2 (0.64) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL756245 0.83 P2RY2 (0.64) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL7231385 0.83 P2RY2 (0.64) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL1641392 0.82 TAS1R3 (0.65) P2RY2P2RY1SRCSMN1; SMN2DNPH1
Water SCHEMBL443839 0.82 P2RY2 (0.63) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL5320373 0.82 P2RY2 (0.63) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL2791974 0.82 P2RY2 (0.63) P2RY2P2RY1SRCSMN1; SMN2DNPH1

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-4990498-A Tobacco mosaic virus TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1991-02-05 US disclosed