SCHEMBL2649925

SCHEMBL2649925

O=Cc1c(OCc2ccc(OC(F)(F)F)cc2)ccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.70
NPC1 O15118 4/20 0.70
MAPT P10636 4/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
XBP1 P17861 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL29227127 0.83 MAPT (0.79) RAB9ANPC1MAPTL3MBTL1SMN1; SMN2
SCHEMBL4345200 0.83 NPC1 (1.00) RAB9ANPC1MAPTL3MBTL1SMN1; SMN2
SCHEMBL30679624 0.81 MAPT (0.79) RAB9ANPC1MAPTL3MBTL1SMN1; SMN2
SCHEMBL29227142 0.81 NPC1 (0.79) RAB9ANPC1MAPTL3MBTL1SMN1; SMN2
SCHEMBL29227155 0.81 MAPT (0.79) RAB9ANPC1MAPTL3MBTL1SMN1; SMN2
SCHEMBL2664435 0.80 GCGR (0.54) RAB9ANPC1MAPTL3MBTL1SMN1; SMN2
SCHEMBL31573995 0.80 MAPT (0.73) RAB9ANPC1MAPTL3MBTL1SMN1; SMN2
SCHEMBL10902286 0.78 NPC1 (0.79) RAB9ANPC1MAPTL3MBTL1SMN1; SMN2
SCHEMBL5663499 0.78 NPC1 (0.73) RAB9ANPC1MAPTL3MBTL1SMN1; SMN2
SCHEMBL15414421 0.76 NPC1 (0.62) RAB9ANPC1MAPTL3MBTL1SMN1; SMN2

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
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed