SCHEMBL5289070

SCHEMBL5289070

COc1cc(-c2ncc(OC(=O)O)c(Oc3ccccc3Cl)n2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSPO P30536 1/20 0.39
MAPT P10636 3/20 0.39
PPP1CA P62136 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HTT P42858 1/20 0.38
GRM4 Q14833 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL5281824 0.91 LMNA (0.44) LMNAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL5287033 0.88 LMNA (0.45) LMNAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL5277030 0.87 L3MBTL1 (0.43) LMNAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL5114057 0.87 TDP1 (0.53) LMNAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL5287627 0.86 LMNA (0.47) LMNAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL5285421 0.84 LMNA (0.41) LMNAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL5298239 0.84 LMNA (0.51) LMNAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL5285487 0.84 ALDH1A1 (0.52) LMNAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL5298448 0.83 TP53 (0.47) LMNAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL5277422 0.83 L3MBTL1 (0.46) LMNAL3MBTL1ALDH1A1KMT2AMEN1

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