SCHEMBL30770552

SCHEMBL30770552

CC(C)OC(=O)[C@H](C)NP(=O)(Oc1ccc(Br)cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ POLB P06746 1/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ BTN3A1 O00481 3/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ LMNA P02545 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 0.94 CA1 (0.49) MEN1KMT2APOLBCA1CA2
SCHEMBL17550476 0.91 MEN1 (0.46) MEN1KMT2APOLBCA1CA2
SCHEMBL28542672 0.91 MEN1 (0.46) MEN1KMT2APOLBCA1CA2
SCHEMBL30583786 0.91 MEN1 (0.46) MEN1KMT2APOLBCA1CA2
SCHEMBL851091 0.91 BTN3A1 (0.48) MEN1KMT2APOLBCA1CA2
SCHEMBL15588696 0.91 BTN3A1 (0.48) MEN1KMT2APOLBCA1CA2
SCHEMBL15457700 0.91 BTN3A1 (0.48) MEN1KMT2APOLBCA1CA2
SCHEMBL851467 0.91 BTN3A1 (0.48) MEN1KMT2APOLBCA1CA2
SCHEMBL13051654 0.91 BTN3A1 (0.48) MEN1KMT2APOLBCA1CA2
SCHEMBL850882 0.91 BTN3A1 (0.48) MEN1KMT2APOLBCA1CA2

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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