SCHEMBL7128946

SCHEMBL7128946

CCOC(=O)c1cn(CC(F)(F)F)c2cc(I)ccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.47
P2RX3 P56373 1/20 0.46
HPGD P15428 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
MAP2K2 P36507 1/20 0.42
MAP2K1 Q02750 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
PIM1 P11309 1/20 0.41
IRAK1 P51617 1/20 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
SCHEMBL1431428 0.90 LMNA (0.63) LMNAKMT2ATDP1POLBP2RX3
SCHEMBL7120371 0.85 LMNA (0.52) LMNAKMT2ATDP1POLBP2RX3
SCHEMBL7124395 0.84 LMNA (0.51) LMNAKMT2ATDP1POLBP2RX3
SCHEMBL7131581 0.83 LMNA (0.44) LMNAKMT2ATDP1POLBHPGD
SCHEMBL7120330 0.81 LMNA (0.48) LMNAKMT2ATDP1POLBP2RX3
SCHEMBL2998174 0.81 MAP2K2 (0.52) LMNAKMT2ATDP1POLBP2RX3
SCHEMBL7125756 0.81 LMNA (0.46) LMNAKMT2ATDP1POLBP2RX3
SCHEMBL1429954 0.80 LMNA (0.74) LMNAKMT2ATDP1POLBHPGD
SCHEMBL7123296 0.80 P2RX3 (0.55) LMNAKMT2ATDP1POLBP2RX3
SCHEMBL7117145 0.79 LMNA (0.46) LMNAKMT2ATDP1POLBP2RX3

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