SCHEMBL7122990

SCHEMBL7122990

O=C(NC(=O)c1ccco1)c1cccc(I)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 1/20 0.51
KCNK3 O14649 2/20 0.50
KCNK9 Q9NPC2 2/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.48
BLM P54132 1/20 0.48
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL11888655 0.88 SMN1; SMN2 (0.67) KMT2AMEN1POLBKCNK3KCNK9
SCHEMBL29060776 0.80 SMN1; SMN2 (0.74) CA2KMT2AMEN1KCNK3KCNK9
SCHEMBL8702006 0.80 CES2 (0.62) CA2KMT2AMEN1POLBGAA
SCHEMBL7122996 0.77 ALDH1A1 (0.68) KMT2AMEN1POLBKCNK3KCNK9
SCHEMBL1926964 0.74 MTOR (0.52) KMT2AMEN1ALDH1A1
SCHEMBL4629451 0.73 SMN1; SMN2 (0.49) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL2290042 0.73 HDAC8 (0.63) KMT2AMEN1POLBALDH1A1
SCHEMBL7426418 0.72 MTOR (0.52) KMT2AMEN1POLBRAB9A
SCHEMBL31010846 0.71 MTOR (0.50) SMN1; SMN2ALDH1A1
SCHEMBL7557230 0.71 MTOR (0.50) SMN1; SMN2ALDH1A1

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