SCHEMBL5282827

SCHEMBL5282827

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 3/20 0.43
ALK Q9UM73 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
SCN9A Q15858 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
PPP1CA P62136 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LIPE Q05469 1/20 0.39

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
SCHEMBL5296867 0.88 CYP1A2 (0.50) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL5115069 0.86 TDP1 (0.57) KMT2AMEN1MAPTL3MBTL1CYP1A2
SCHEMBL5282850 0.86 L3MBTL1 (0.57) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL5280099 0.84 L3MBTL1 (0.41) MAPTNPSR1L3MBTL1CYP1A2ALK
SCHEMBL5282184 0.83 L3MBTL1 (0.50) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL5285487 0.83 ALDH1A1 (0.52) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL5118593 0.81 CYP1A2 (0.68) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL5287627 0.79 LMNA (0.47) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL5283006 0.79 L3MBTL1 (0.54) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL5285421 0.78 LMNA (0.41) KMT2AMEN1MAPTNPSR1L3MBTL1

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