SCHEMBL7118329

SCHEMBL7118329

O=C1C(Cl)=C(Nc2cccc(OB(O)O)c2)C(=O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.59
▸ HTT P42858 10/20 0.59
▸ RAB9A P51151 10/20 0.59
▸ NPSR1 Q6W5P4 9/20 0.59
▸ KMT2A Q03164 9/20 0.59
▸ MAPK1 P28482 7/20 0.59
▸ MEN1 O00255 7/20 0.59
▸ ATM Q13315 5/20 0.59
▸ CDC25A P30304 5/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ CDC25B P30305 3/20 0.59
▸ MCL1 Q07820 3/20 0.59
▸ NSD2 O96028 2/20 0.59
▸ MAP2K7 O14733 1/20 0.59
▸ NPC1 O15118 6/20 0.57
▸ GAA P10253 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ MITF O75030 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ XBP1 P17861 1/20 0.57

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
SCHEMBL6506683 0.75 MAPT (1.00) MAPTHTTRAB9ANPSR1KMT2A
SCHEMBL29633261 0.75 MAPT (1.00) MAPTHTTRAB9ANPSR1KMT2A
SCHEMBL5808588 0.75 MAPT (0.68) MAPTHTTRAB9ANPSR1KMT2A
SCHEMBL22212561 0.71 MAPT (0.54) MAPTHTTRAB9ANPSR1KMT2A
SCHEMBL12352053 0.70 KMT2A (0.55) MAPTHTTRAB9ANPSR1KMT2A
SCHEMBL2241338 0.70 ALDH1A1 (0.59) MAPTHTTRAB9ANPSR1KMT2A
SCHEMBL8663288 0.69 MAPT (0.74) MAPTHTTRAB9ANPSR1KMT2A
SCHEMBL4873496 0.69 MAPT (1.00) MAPTHTTRAB9ANPSR1KMT2A
SCHEMBL12283051 0.69 MAPT (0.72) MAPTHTTRAB9ANPSR1KMT2A
SCHEMBL32664539 0.69 MAPT (0.79) MAPTHTTRAB9ANPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 — — EP disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 — — US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 — — EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 — — WO disclosed
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