SCHEMBL30770430

SCHEMBL30770430

COc1ccc(OP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 7/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ POLB P06746 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ GAA P10253 3/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CES2 O00748 1/20 0.45
▸ CES1 P23141 1/20 0.45
▸ ALOX5 P09917 1/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HTT P42858 1/20 0.44

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) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL30770455 0.94 KMT2A (0.42) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL30770566 0.92 KMT2A (0.45) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL15588696 0.92 BTN3A1 (0.48) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL15457700 0.92 BTN3A1 (0.48) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL850882 0.92 BTN3A1 (0.48) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL851467 0.92 BTN3A1 (0.48) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL13051654 0.92 BTN3A1 (0.48) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL851091 0.92 BTN3A1 (0.48) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL28842286 0.92 BTN3A1 (0.48) KMT2AMEN1LMNAMAPTALDH1A1

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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