SCHEMBL5280143

SCHEMBL5280143

Cc1ccc(Cl)cc1Oc1nc(-c2ccccc2)ncc1OC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 5/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
POLB P06746 3/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAPT P10636 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 2/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL5282850 0.90 L3MBTL1 (0.57) L3MBTL1ALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL5277000 0.88 ALDH1A1 (0.55) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5282772 0.88 L3MBTL1 (0.56) L3MBTL1ALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL5279608 0.86 ALDH1A1 (0.71) L3MBTL1ALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL5114560 0.85 TDP1 (0.69) L3MBTL1ALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL5294553 0.84 ALDH1A1 (0.50) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5277536 0.83 L3MBTL1 (0.52) L3MBTL1ALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL5283006 0.83 L3MBTL1 (0.54) L3MBTL1ALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL5282184 0.82 L3MBTL1 (0.50) L3MBTL1ALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL5285487 0.82 ALDH1A1 (0.52) L3MBTL1ALDH1A1TDP1CYP1A2CYP2C9

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