SCHEMBL5550835

SCHEMBL5550835

OC1CCCN(Nc2cccc(F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LRRK2 Q5S007 1/20 0.42
NPC1 O15118 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40
TRPA1 O75762 1/20 0.40
USP2 O75604 1/20 0.40
IDH2 P48735 3/20 0.40
EPHX2 P34913 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
SCHEMBL5550725 0.91 KDM4E (0.46) KDM4EALDH1A1NPC1KMT2ARAB9A
SCHEMBL5550053 0.83 KMT2A (0.43) ALDH1A1NPC1KMT2ARAB9AMEN1
SCHEMBL5547459 0.82 KDM4E (0.44) KDM4EALDH1A1NPC1KMT2ARAB9A
SCHEMBL5547476 0.80 ALDH1A1 (0.54) KDM4EALDH1A1NPC1KMT2ARAB9A
SCHEMBL5550694 0.78 ALDH1A1 (0.53) KDM4EALDH1A1NPC1KMT2ARAB9A
SCHEMBL5551976 0.78 MAPT (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5547433 0.75 RAB9A (0.36) KDM4EALDH1A1NPC1KMT2ARAB9A
SCHEMBL5550674 0.74 MAPT (0.43) ALDH1A1NPC1KMT2ARAB9AMEN1
SCHEMBL5550133 0.72 KDM4E (0.45) KDM4EALDH1A1NPC1KMT2ARAB9A
SCHEMBL27674819 0.72 LMNA (0.43) KDM4EALDH1A1NPC1KMT2ARAB9A

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