SCHEMBL30770566

SCHEMBL30770566

COc1cccc(OP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.45
▸ MEN1 O00255 9/20 0.45
▸ MAPT P10636 7/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 4/20 0.45
▸ TP53 P04637 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HCRTR1 O43613 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ AHR P35869 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ BTN3A1 O00481 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40

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
SCHEMBL30770455 0.94 KMT2A (0.42) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL30770430 0.92 KMT2A (0.47) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL17601834 0.90 CA1 (0.49) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL30770637 0.90 MEN1 (0.49) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL13051654 0.89 BTN3A1 (0.48) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL15588696 0.89 BTN3A1 (0.48) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL851467 0.89 BTN3A1 (0.48) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL15457700 0.89 BTN3A1 (0.48) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL851091 0.89 BTN3A1 (0.48) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL850882 0.89 BTN3A1 (0.48) KMT2AMEN1MAPTALDH1A1LMNA

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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