SCHEMBL6629605

SCHEMBL6629605

Cc1nc2cc(OC(=O)O)ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
LMNA P02545 3/20 0.54
GAA P10253 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
STAT1 P42224 1/20 0.49
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
FLT3 P36888 1/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.43
EPHX2 P34913 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
SCHEMBL9202106 0.85 RAB9A (0.59) RAB9ALMNAGAAL3MBTL1NPC1
SCHEMBL5228689 0.78 RAB9A (0.61) RAB9ALMNAGAAL3MBTL1NPC1
SCHEMBL29447082 0.78 RAB9A (0.61) RAB9ALMNAGAAL3MBTL1NPC1
SCHEMBL3857668 0.78 GLA (0.55) RAB9ALMNAGAANPC1SMN1; SMN2
SCHEMBL14470498 0.76 RAB9A (0.47) RAB9ALMNAL3MBTL1NPC1SMN1; SMN2
SCHEMBL11116315 0.76 L3MBTL1 (0.59) RAB9ALMNAGAAL3MBTL1NPC1
SCHEMBL19756735 0.76 RAB9A (0.49) RAB9ALMNAGAAL3MBTL1NPC1
SCHEMBL7922085 0.76 RAB9A (0.49) RAB9ALMNAGAAL3MBTL1NPC1
SCHEMBL31731398 0.76 RAB9A (0.49) RAB9ALMNAGAAL3MBTL1NPC1
SCHEMBL701884 0.76 TDP1 (0.54) RAB9ALMNAGAAL3MBTL1NPC1

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-1425283-A1 NOVEL 4-AMINOFUROPYRIMIDINES AND THE USE THEREOF Bayer HealthCare AG (DE) 2004-06-09 EP disclosed
WO-2003018589-A1 NOVEL 4-AMINOFUROPYRIMIDINES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2003-03-06 WO disclosed