SCHEMBL30770623

SCHEMBL30770623

COC(=O)[C@H](C)NP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ ENPP2 Q13822 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ AR P10275 1/20 0.40
▸ GPR17 Q13304 2/20 0.40
▸ P2RY2 P41231 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 2/20 0.39

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
SCHEMBL27144629 0.90 MEN1 (0.45) MEN1KMT2ACA1CA2CES2
SCHEMBL27144626 0.90 MEN1 (0.45) MEN1KMT2ACA1CA2CES2
SCHEMBL30770597 0.90 HSPB1 (0.47) MEN1KMT2ACA1CA2CES2
SCHEMBL18742082 0.89 CA1 (0.51) MEN1KMT2ACA1CA2CES2
SCHEMBL15343943 0.88 ALDH1A1 (0.48) MEN1KMT2ACA1CA2CES2
SCHEMBL28841738 0.88 ALDH1A1 (0.48) MEN1KMT2ACA1CA2CES2
SCHEMBL15343942 0.88 ALDH1A1 (0.48) MEN1KMT2ACA1CA2CES2
SCHEMBL19361265 0.88 ALDH1A1 (0.48) MEN1KMT2ACA1CA2CES2
SCHEMBL30583778 0.87 MEN1 (0.45) MEN1KMT2ACA1CA2CES2
SCHEMBL30770523 0.84 KDM4E (0.43) MEN1KMT2ACA1CA2CES2

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
EP-3831388-B1 CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF FOR USE IN SUPPRESSING ADENOVIRUS FUJIFILM CORP (JP) 2024-02-28 — — EP disclosed
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