SCHEMBL5547433

SCHEMBL5547433

OC1CCN(Nc2cc(F)cc(F)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
OPRK1 P41145 1/20 0.33
ABL1 P00519 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PIK3CB P42338 2/20 0.31
IDH2 P48735 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL7131198 0.89 KMT2A (0.37) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL5550725 0.84 KDM4E (0.46) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL5550036 0.75 KMT2A (0.45) KMT2AALDH1A1LMNAMEN1
SCHEMBL5550835 0.75 KDM4E (0.44) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL27674819 0.75 LMNA (0.43) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL5547459 0.73 KDM4E (0.44) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL5550018 0.72 AKR1C3 (0.36) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL7125472 0.71 KMT2A (0.39) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL5550674 0.71 MAPT (0.43) RAB9ANPC1KMT2AALDH1A1LMNA
SCHEMBL3637983 0.70 AR (0.43) SMN1; SMN2ABL1

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 3 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
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