SCHEMBL5298239

SCHEMBL5298239

COc1ccc(-c2ncc(OC(=O)O)c(Oc3ccccc3Cl)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
ALDH1A1 P00352 7/20 0.49
KMT2A Q03164 7/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 5/20 0.47
NPSR1 Q6W5P4 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.43
RORC P51449 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5285487 0.91 ALDH1A1 (0.52) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL5287627 0.89 LMNA (0.47) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL5282731 0.88 L3MBTL1 (0.54) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL5112148 0.85 TDP1 (0.64) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL5289070 0.84 LMNA (0.49) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL5298448 0.83 TP53 (0.47) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL5277422 0.83 L3MBTL1 (0.46) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL5279902 0.83 KMT2A (0.49) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL5281824 0.83 LMNA (0.44) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL5277030 0.81 L3MBTL1 (0.43) LMNAALDH1A1KMT2AMAPTMEN1

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-1866289-A1 PYRIMIDINE CARBOXYLIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-12-19 EP disclosed
WO-2006097220-A1 PYRIMIDINE CARBOXYLIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-09-21 WO disclosed