SCHEMBL5284001

SCHEMBL5284001

COc1ccc(C2(CC(=O)OCc3ccccc3)N=NN=N2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 3/20 0.44
PLAU P00749 1/20 0.43
ELANE P08246 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ATM Q13315 2/20 0.43
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
HSD17B10 Q99714 1/20 0.41
ACHE P22303 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL5282389 0.88 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL5282555 0.87 LMNA (0.49) ALDH1A1L3MBTL1MAPK1RAB9AMAPT
SCHEMBL5287713 0.79 HSD11B1 (0.51) ALDH1A1L3MBTL1MAPK1RAB9ANPC1
SCHEMBL1171464 0.75 ALDH1A1 (0.74) ALDH1A1L3MBTL1MAPK1RAB9ANPC1
SCHEMBL11684699 0.75 ALDH1A1 (0.74) ALDH1A1L3MBTL1MAPK1RAB9ANPC1
SCHEMBL15000357 0.75 RAB9A (0.68) ALDH1A1L3MBTL1MAPK1RAB9ANPC1
SCHEMBL5287640 0.74 POLB (0.41) ALDH1A1MAPK1RAB9AMAPTSMN1; SMN2
SCHEMBL4896275 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1RAB9ANPC1
SCHEMBL4893580 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1RAB9ANPC1
SCHEMBL16320907 0.73 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPK1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed