SCHEMBL7127615

SCHEMBL7127615

CCOC(=O)c1cn(CC2CCNCC2)c2cc(I)ccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HPGD P15428 3/20 0.43
P2RX3 P56373 1/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 2/20 0.39
PLAT P00750 1/20 0.38
PIM1 P11309 1/20 0.38
IRAK1 P51617 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38

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
SCHEMBL7120330 0.93 LMNA (0.48) LMNAHPGDP2RX3KMT2ATDP1
SCHEMBL13080495 0.87 LMNA (0.50) LMNAHPGDP2RX3KMT2ATDP1
SCHEMBL13008052 0.87 LMNA (0.50) LMNAHPGDP2RX3KMT2ATDP1
Hydrochloric Acid SCHEMBL3003544 0.86 LMNA (0.49) LMNAHPGDP2RX3KMT2ATDP1
Hydrochloric Acid SCHEMBL2996743 0.86 LMNA (0.49) LMNAHPGDP2RX3KMT2ATDP1
SCHEMBL7127093 0.86 KDM4E (0.42) LMNAHPGDTDP1KDM4EALDH1A1
SCHEMBL4149885 0.85 LMNA (0.56) LMNAHPGDKMT2ATDP1MEN1
SCHEMBL31310726 0.83 LMNA (0.54) LMNAHPGDKMT2ATDP1MEN1
SCHEMBL1431428 0.82 LMNA (0.63) LMNAHPGDP2RX3KMT2ATDP1
SCHEMBL13080494 0.81 LMNA (0.48) LMNAHPGDKMT2ATDP1MEN1

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 2 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