SCHEMBL7127052

SCHEMBL7127052

O=C(O)c1cn(C2CCCC2)c2cc(I)ccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.67
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
LMNA P02545 3/20 0.47
TOP2A P11388 3/20 0.47
TOP2B Q02880 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CG P48736 4/20 0.41
PIK3CD O00329 3/20 0.41
PIK3R1 P27986 3/20 0.41
PIK3CA P42336 3/20 0.41

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
SCHEMBL7118334 0.95 KDM4E (0.59) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL29541197 0.95 KDM4E (0.59) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL27977216 0.86 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL262202 0.85 KDM4E (0.67) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL3819912 0.84 KDM4E (0.59) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7121601 0.84 KDM4E (0.69) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7129697 0.83 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7129782 0.82 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7127495 0.81 KDM4E (0.65) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL2679599 0.80 KDM4E (1.00) KDM4EMEN1KMT2AALDH1A1HPGD

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