SCHEMBL8990595

SCHEMBL8990595

Nc1nc(CCc2ccccc2)nc(O)c1NC(=O)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL655417 0.77 RAB9A (0.51) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL8990708 0.71 ADORA1 (0.45) ALDH1A1HPGDKDM4E
SCHEMBL8990633 0.69 CDK1 (0.47) KMT2AMEN1MAPTKDM4E
SCHEMBL8990610 0.69 NPC1 (0.52) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL31530565 0.68 RAB9A (1.00) RAB9ANPC1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL8990599 0.67 HTT (0.46) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2997673 0.66 RAB9A (1.00) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL8990578 0.65 RAB9A (0.53) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL5025278 0.65 KMT2A (0.47) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL5026848 0.65 KMT2A (0.47) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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
US-5500428-A Furyl-substituted purines and adenosine antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-03-19 US disclosed
US-5300509-A Adenosine antagonists for treating cardiovascular disorders, vasodilation IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-05 US disclosed