SCHEMBL5547460

SCHEMBL5547460

OCC1CCN(Nc2ccc(F)c(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 5/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MALT1 Q9UDY8 1/20 0.42
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLA2G1B P04054 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL5546266 0.89 EGFR (0.46) POLBMAPTKMT2AMEN1ALDH1A1
SCHEMBL5550840 0.84 KMT2A (0.47) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL5550800 0.80 L3MBTL1 (0.47) ALOX5POLBMAPTKMT2AMEN1
SCHEMBL5550036 0.79 KMT2A (0.45) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL5550802 0.79 MAPT (0.56) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL5550676 0.78 MAPT (0.46) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL5550024 0.77 MAPT (0.55) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL5550133 0.77 KDM4E (0.45) POLBMAPTKMT2AMEN1ALDH1A1
SCHEMBL27262053 0.75 LMNA (0.64) POLBMAPTKMT2AMEN1ALDH1A1
SCHEMBL5551976 0.74 MAPT (0.46) MAPTKMT2AMEN1ALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
CN-1496364-A Substituted quinazoline derivatives and their use as inhibitors 2004-05-12 CN disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 WO disclosed