SCHEMBL9702628

SCHEMBL9702628

O=c1[nH]c(=O)n([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)O)C(O)C2O)cc1F

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 15/20 0.74
P2RY14 Q15391 2/20 0.74
NT5E P21589 1/20 0.74
P2RY2 P41231 8/20 0.70
DNPH1 O43598 1/20 0.63
P2RY4 P51582 3/20 0.61

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
SCHEMBL9702618 1.00 P2RY6 (0.74) P2RY6P2RY14NT5EP2RY2DNPH1
SCHEMBL148675 0.98 P2RY6 (0.73) P2RY6P2RY14NT5EP2RY2DNPH1
SCHEMBL148676 0.98 P2RY6 (0.73) P2RY6P2RY14NT5EP2RY2DNPH1
SCHEMBL8861497 0.92 P2RY6 (0.75) P2RY6P2RY14NT5EP2RY2
SCHEMBL28741430 0.92 P2RY6 (0.74) P2RY6P2RY14NT5EP2RY2DNPH1
SCHEMBL27686864 0.91 P2RY6 (0.80) P2RY6P2RY14NT5EP2RY2DNPH1
SCHEMBL465109 0.91 P2RY6 (0.80) P2RY6P2RY14NT5EP2RY2DNPH1
SCHEMBL668874 0.91 P2RY6 (0.80) P2RY6P2RY14NT5EP2RY2DNPH1
Lithium Ion SCHEMBL29357540 0.90 P2RY6 (0.79) P2RY6P2RY14NT5EP2RY2DNPH1
SCHEMBL6820199 0.90 P2RY6 (0.63) P2RY6P2RY14NT5EP2RY2P2RY4

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
WO-2024187069-A1 ENGINEERING ENTEROBACTERIA TO SITE-SPECIFICALLY ACTIVATE THE ANTICANCER PRODRUG 5-FLUOROCYTOSINE FOR TREATING COLON CANCER UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-09-12 WO disclosed
WO-1992014758-A1 CONJUGATE MOLECULES THE AUSTIN RESEARCH INSTITUTE (AU) 1992-09-03 WO disclosed