SCHEMBL5550133

SCHEMBL5550133

OCC1CCN(Nc2cccc(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 3/20 0.40
EPHX2 P34913 1/20 0.40
BPTF Q12830 1/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL5550055 0.89 KDM4E (0.43) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL5547459 0.83 KDM4E (0.44) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL5550800 0.82 L3MBTL1 (0.47) KDM4EALDH1A1KMT2AMEN1EPHX2
SCHEMBL5550725 0.78 KDM4E (0.46) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL5547476 0.77 ALDH1A1 (0.54) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL5547460 0.77 ALOX5 (0.46) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL17287922 0.77 NPC1 (0.62) KDM4EALDH1A1KMT2ANPC1POLB
SCHEMBL5551984 0.76 ALDH1A1 (0.47) KDM4EALDH1A1KMT2AMEN1
SCHEMBL5550694 0.76 ALDH1A1 (0.53) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL28706080 0.74 BPTF (0.64) BPTFSMN1; SMN2

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