SCHEMBL7129506

SCHEMBL7129506

C#Cc1ccc2c(c1)c(=O)c(C(=O)OCC)cn2CC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.69
HPGD P15428 4/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
THRB P10828 1/20 0.56
POLB P06746 1/20 0.53
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 5/20 0.53
HSD17B10 Q99714 3/20 0.53
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
CNR2 P34972 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
SCHEMBL4396944 0.88 LMNA (0.69) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL3982923 0.88 LMNA (0.65) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL31310735 0.85 LMNA (0.52) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL31310727 0.85 LMNA (0.52) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL7126369 0.84 LMNA (0.64) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL7285360 0.84 LMNA (0.77) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL7284037 0.83 LMNA (0.76) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL3816295 0.83 LMNA (0.76) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL1429954 0.82 LMNA (0.74) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL3810029 0.82 LMNA (0.74) LMNAHPGDKMT2AMAPTMEN1

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