SCHEMBL5282731

SCHEMBL5282731

COc1ccc(Oc2nc(-c3ccccc3)ncc2OC(=O)O)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 4/20 0.49
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 5/20 0.49
NPSR1 Q6W5P4 3/20 0.49
MAPT P10636 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.44
SCN9A Q15858 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
HTT P42858 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
SCHEMBL5298239 0.88 LMNA (0.51) L3MBTL1CYP1A2KMT2AALDH1A1MEN1
SCHEMBL5283006 0.88 L3MBTL1 (0.54) L3MBTL1CYP1A2KMT2AALDH1A1MEN1
SCHEMBL5118999 0.86 TDP1 (0.66) L3MBTL1CYP1A2KMT2AALDH1A1MEN1
SCHEMBL5282184 0.85 L3MBTL1 (0.50) L3MBTL1CYP1A2KMT2AALDH1A1MEN1
SCHEMBL5285487 0.85 ALDH1A1 (0.52) L3MBTL1CYP1A2KMT2AALDH1A1MEN1
SCHEMBL5282850 0.81 L3MBTL1 (0.57) L3MBTL1CYP1A2KMT2AALDH1A1MEN1
SCHEMBL5279902 0.80 KMT2A (0.49) L3MBTL1CYP1A2KMT2AALDH1A1MEN1
SCHEMBL5287627 0.79 LMNA (0.47) L3MBTL1CYP1A2KMT2AALDH1A1MEN1
SCHEMBL5280143 0.78 L3MBTL1 (0.61) L3MBTL1CYP1A2KMT2AALDH1A1MEN1
SCHEMBL5282264 0.77 L3MBTL1 (0.58) L3MBTL1CYP1A2KMT2AALDH1A1MEN1

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