SCHEMBL1126264

SCHEMBL1126264

O=C(O)Nc1ccc(CO)cn1.[Al+3].[H-].[H-].[H-].[Li]C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DEGS1 O15121 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.36
PTK2 Q05397 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ABL1 P00519 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL466003 0.88 RAB9A (0.46) MEN1KMT2ADEGS1RAB9AMAPT
SCHEMBL3923056 0.79 RAB9A (0.48) MEN1KMT2ADEGS1RAB9AMAPT
SCHEMBL11466907 0.78 DEGS1 (0.56) MEN1KMT2ADEGS1RAB9AMAPT
SCHEMBL3306300 0.77 PTK2 (0.59) MEN1KMT2ADEGS1RAB9AMAPT
SCHEMBL540536 0.75 NAMPT (0.50) DEGS1RAB9AMAPT
SCHEMBL16246036 0.75 RAB9A (0.43) MEN1KMT2ADEGS1RAB9AMAPT
SCHEMBL28322047 0.74 RAB9A (0.50) MEN1KMT2ADEGS1RAB9AMAPT
SCHEMBL3202851 0.73 RAB9A (0.44) MEN1KMT2ADEGS1RAB9AMAPT
SCHEMBL3720037 0.73 RAB9A (0.44) MEN1KMT2ADEGS1RAB9AMAPT
SCHEMBL17675503 0.73 RAB9A (0.44) MEN1KMT2ADEGS1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2282995-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS Novartis AG (CH) 2011-02-16 EP disclosed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO disclosed