SCHEMBL30770532

SCHEMBL30770532

Cc1ccc(OP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CES2 O00748 1/20 0.45
▸ CES1 P23141 1/20 0.45
▸ KMT2A Q03164 6/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ ACHE P22303 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ BTN3A1 O00481 3/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 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
SCHEMBL17601834 0.95 CA1 (0.49) CA1CA2CES2CES1KMT2A
SCHEMBL15457700 0.92 BTN3A1 (0.48) CA1CA2CES2CES1KMT2A
SCHEMBL28842286 0.92 BTN3A1 (0.48) CA1CA2CES2CES1KMT2A
SCHEMBL20059213 0.92 BTN3A1 (0.48) CA1CA2CES2CES1KMT2A
SCHEMBL851091 0.92 BTN3A1 (0.48) CA1CA2CES2CES1KMT2A
SCHEMBL13051654 0.92 BTN3A1 (0.48) CA1CA2CES2CES1KMT2A
SCHEMBL850882 0.92 BTN3A1 (0.48) CA1CA2CES2CES1KMT2A
SCHEMBL15588696 0.92 BTN3A1 (0.48) CA1CA2CES2CES1KMT2A
SCHEMBL851467 0.92 BTN3A1 (0.48) CA1CA2CES2CES1KMT2A
SCHEMBL30770430 0.91 KMT2A (0.47) CA1CA2CES2CES1KMT2A

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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