SCHEMBL7121601

SCHEMBL7121601

O=C(O)c1cn(C2CCCCC2)c2cc(Br)ccc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.69
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PIK3CD O00329 2/20 0.51
PIK3R1 P27986 2/20 0.51
PIK3CA P42336 2/20 0.51
PIK3CG P48736 2/20 0.51
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
LMNA P02545 3/20 0.46
TOP2A P11388 3/20 0.46
TOP2B Q02880 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.43
MAPK8 P45983 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL29576694 0.94 KDM4E (0.59) KDM4EMEN1KMT2APIK3CDPIK3R1
SCHEMBL7578838 0.94 KDM4E (0.59) KDM4EMEN1KMT2APIK3CDPIK3R1
SCHEMBL27977216 0.85 KDM4E (0.68) KDM4EMEN1KMT2APIK3CDPIK3R1
SCHEMBL262202 0.84 KDM4E (0.67) KDM4EMEN1KMT2APIK3CDPIK3R1
SCHEMBL7127052 0.84 KDM4E (0.67) KDM4EMEN1KMT2APIK3CDPIK3R1
SCHEMBL7131487 0.83 LMNA (0.55) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL23497751 0.82 LMNA (0.54) KDM4EPIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL7127495 0.82 KDM4E (0.65) KDM4EMEN1KMT2APIK3CDPIK3R1
SCHEMBL2679599 0.82 KDM4E (1.00) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL27977084 0.81 KDM4E (0.60) KDM4EMEN1KMT2APIK3CDPIK3R1

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
CN-1136198-C Novel benzyl pyrimidines ��������ҩ�ɷ����޹�˾ 2004-01-28 CN disclosed
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
CN-1166831-A Novel benzyl pyrimidines HOFFMANN LA ROCHE (CH) 1997-12-03 CN 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