SCHEMBL8779971

SCHEMBL8779971

N[C@H](Cc1nc2ccc(Cl)cc2n1CP(=O)(O)O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMO O15229 1/20 0.45

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
SCHEMBL499964 0.91 MEN1 (0.46) MEN1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL1430689 0.91 MEN1 (0.46) MEN1ALDH1A1CYP1A2CYP2C9HPGD
Hydrochloric Acid SCHEMBL4889627 0.90 MEN1 (0.45) MEN1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL8779858 0.86
SCHEMBL8779876 0.86
SCHEMBL8779864 0.83 APEX1 (0.44)
SCHEMBL8779888 0.83 APEX1 (0.44)
SCHEMBL8779882 0.81 GGPS1 (0.43)
SCHEMBL29496156 0.77 KMO (0.44) MEN1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL9700703 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539057-B1 Benzimidazole phosphono-amino acids AMERICAN HOME PROD (US) 1997-07-16 EP claimed
EP-0539057-A1 Benzimidazole phosphono-amino acids AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-28 EP claimed
US-5124319-A Administering for treatment of neuropathological disorders induced by overstimulation of excitatory amino acid receptors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-23 US claimed
EP-0539057-B1 Benzimidazole phosphono-amino acids AMERICAN HOME PROD (US) 1997-07-16 EP disclosed
EP-0539057-A1 Benzimidazole phosphono-amino acids AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-28 EP disclosed
US-5124319-A Administering for treatment of neuropathological disorders induced by overstimulation of excitatory amino acid receptors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-23 US disclosed