SCHEMBL11521031

SCHEMBL11521031

O=C(CP(=O)(O)O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.59
▸ KMT2A Q03164 6/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ HPGD P15428 1/20 0.57
▸ MCL1 Q07820 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ HTT P42858 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ RAB9A P51151 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL15970722 0.82 CA12 (0.65) GAAHPGDRAB9AL3MBTL1
SCHEMBL3087061 0.80 GAA (0.73) GAAKMT2AMEN1HPGDMCL1
Phosphoric Acid SCHEMBL28155504 0.79 TSHR (0.69) GAAKMT2AMEN1HPGDALDH1A1
SCHEMBL6578808 0.77 GAA (0.63) GAAKMT2AMEN1HPGDMCL1
(Benzylamino)Carbonylphosphonic Acid SCHEMBL11569947 0.77 CA12 (0.68) GAAKMT2AMEN1HPGDALDH1A1
SCHEMBL1186049 0.76 GAA (0.68) GAAKMT2AMEN1HPGDMCL1
SCHEMBL392625 0.76 ALDH1A1 (0.82) GAAKMT2AMEN1HPGDALDH1A1
SCHEMBL622501 0.76 GAA (0.68) GAAKMT2AMEN1HPGDMCL1
SCHEMBL414454 0.76 GAA (0.68) GAAKMT2AMEN1HPGDMCL1
SCHEMBL10186773 0.75 GAA (0.66) GAAKMT2AMEN1HPGDMCL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014129874-A1 PIPER AMIDE-BASED COMPOUND AS BOMBESIN RECEPTOR SUBTYPE 3 서울대학교산학협력단 (KR) 2014-08-28 — — WO disclosed
US-4138432-A Amides of phosphonoacetic acid ABBOTT LABORATORIES (US) 1979-02-06 — — US disclosed
US-4087522-A Amides of phosphonoacetic acid for treating herpes simplex virus type 1 and 2 infections ABBOTT LABORATORIES (US) 1978-05-02 — — US disclosed
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