SCHEMBL5285487

SCHEMBL5285487

O=C(O)Oc1cnc(-c2ccccc2)nc1Oc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 5/20 0.45
POLB P06746 2/20 0.45
HTT P42858 2/20 0.45
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
HPGD P15428 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
SCHEMBL5287627 0.93 LMNA (0.47) ALDH1A1NPSR1MAPTLMNAL3MBTL1
SCHEMBL5279902 0.91 KMT2A (0.49) ALDH1A1NPSR1MAPTLMNAL3MBTL1
SCHEMBL5298239 0.91 LMNA (0.51) ALDH1A1NPSR1MAPTLMNAL3MBTL1
SCHEMBL5282850 0.88 L3MBTL1 (0.57) ALDH1A1NPSR1MAPTLMNAL3MBTL1
SCHEMBL5283006 0.88 L3MBTL1 (0.54) ALDH1A1NPSR1MAPTLMNAL3MBTL1
SCHEMBL5282184 0.88 L3MBTL1 (0.50) ALDH1A1NPSR1MAPTLMNAL3MBTL1
SCHEMBL5298448 0.87 TP53 (0.47) ALDH1A1NPSR1MAPTLMNAL3MBTL1
SCHEMBL5277422 0.87 L3MBTL1 (0.46) ALDH1A1NPSR1MAPTLMNAL3MBTL1
SCHEMBL5281824 0.86 LMNA (0.44) ALDH1A1NPSR1MAPTLMNAL3MBTL1
SCHEMBL5279608 0.86 ALDH1A1 (0.71) ALDH1A1NPSR1MAPTLMNAL3MBTL1

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