SCHEMBL5546241

SCHEMBL5546241

OCCC1CCN(Nc2cccc(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 4/20 0.42
EPHX1 P07099 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GBA1 P04062 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5550800 0.89 L3MBTL1 (0.47) USP30POLBL3MBTL1EPHX2EPHX1
SCHEMBL5550055 0.83 KDM4E (0.43) POLBEPHX2ALDH1A1MEN1KMT2A
SCHEMBL5546266 0.81 EGFR (0.46) POLBALDH1A1MEN1KMT2ANPSR1
SCHEMBL5551989 0.81 KMT2A (0.44) POLBL3MBTL1EPHX2EPHX1ALDH1A1
SCHEMBL5550675 0.77 L3MBTL1 (0.54) L3MBTL1EPHX2EPHX1ALDH1A1MEN1
SCHEMBL5550674 0.75 MAPT (0.43) USP30POLBL3MBTL1EPHX2EPHX1
SCHEMBL5546230 0.75 ALDH1A1 (0.54) L3MBTL1ALDH1A1MEN1KMT2ARECQL
SCHEMBL5550713 0.74 KMT2A (0.53) L3MBTL1EPHX2EPHX1ALDH1A1MEN1
SCHEMBL5550018 0.74 AKR1C3 (0.36) ALDH1A1MEN1KMT2ANPC1LMNA
SCHEMBL5550133 0.71 KDM4E (0.45) POLBEPHX2ALDH1A1MEN1KMT2A

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