SCHEMBL5282850

SCHEMBL5282850

O=C(O)Oc1cnc(-c2ccccc2)nc1Oc1cc(Cl)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 4/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
GPBAR1 Q8TDU6 4/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 4/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 3/20 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
SCHEMBL5280143 0.90 L3MBTL1 (0.61) L3MBTL1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL5282184 0.88 L3MBTL1 (0.50) L3MBTL1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL5285487 0.88 ALDH1A1 (0.52) L3MBTL1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL5282827 0.86 KMT2A (0.45) L3MBTL1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL5280099 0.85 L3MBTL1 (0.41) L3MBTL1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL5111974 0.85 TDP1 (0.70) L3MBTL1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL5289303 0.84 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP2C9CYP2C19GPBAR1
SCHEMBL5283006 0.84 L3MBTL1 (0.54) L3MBTL1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL5279902 0.82 KMT2A (0.49) L3MBTL1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL5287627 0.81 LMNA (0.47) L3MBTL1TDP1CYP1A2CYP2C9CYP2C19

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