SCHEMBL5287627

SCHEMBL5287627

O=C(O)Oc1cnc(-c2ccc(F)cc2)nc1Oc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 5/20 0.40
POLB P06746 2/20 0.40
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
DHPS P49366 1/20 0.38

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
SCHEMBL5285487 0.93 ALDH1A1 (0.52) LMNAMAPTALDH1A1NPSR1HTT
SCHEMBL5281824 0.89 LMNA (0.44) LMNAMAPTALDH1A1NPSR1HTT
SCHEMBL5298239 0.89 LMNA (0.51) LMNAMAPTALDH1A1NPSR1HTT
SCHEMBL5277030 0.87 L3MBTL1 (0.43) LMNAMAPTALDH1A1NPSR1HTT
SCHEMBL5289070 0.86 LMNA (0.49) LMNAMAPTALDH1A1NPSR1HTT
SCHEMBL5298448 0.85 TP53 (0.47) LMNAMAPTALDH1A1NPSR1HTT
SCHEMBL5277422 0.85 L3MBTL1 (0.46) LMNAMAPTALDH1A1NPSR1HTT
SCHEMBL5117637 0.85 TDP1 (0.60) LMNAMAPTALDH1A1NPSR1HTT
SCHEMBL5279902 0.85 KMT2A (0.49) LMNAMAPTALDH1A1NPSR1L3MBTL1
SCHEMBL5285421 0.85 LMNA (0.41) LMNAMAPTALDH1A1NPSR1HTT

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