SCHEMBL6429451

SCHEMBL6429451

[CH2]CNC(=O)c1cnc(C)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.55
RAB9A P51151 7/20 0.55
ALDH1A1 P00352 5/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
POLB P06746 3/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 2/20 0.49
BLM P54132 1/20 0.49
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL3344444 0.86 NPC1 (0.59) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL10603927 0.81 NPC1 (0.54) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL10205813 0.81 L3MBTL1 (0.56) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL1874036 0.79 NPC1 (0.54) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL17298873 0.79 NPC1 (0.52) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL26048300 0.79 NPC1 (0.59) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL17052948 0.79 LMNA (0.55) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL753759 0.79 ALDH1A1 (0.59) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL2216041 0.77 NPC1 (0.56) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL30874242 0.77 NPC1 (0.56) NPC1RAB9AALDH1A1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1514550-A2 Combinations for diabetes which contain a sulfonylurea, a glitazone and a biguanide WARNER-LAMBERT COMPANY LLC (US) 2005-03-16 EP disclosed
EP-1128834-A1 COMBINATIONS FOR DIABETES WHICH CONTAIN A SULFONYLUREA, A GLITAZONE AND A BIGUANIDE WARNER-LAMBERT COMPANY (US) 2001-09-05 EP disclosed
WO-2000027401-A1 COMBINATIONS FOR DIABETES WHICH CONTAIN A SULFONYLUREA, A GLITAZONE AND A BIGUANIDE WARNER-LAMBERT COMPANY (US) 2000-05-18 WO disclosed
US-6011049-A Combinations for diabetes WARNER-LAMBERT COMPANY (US) 2000-01-04 US disclosed
EP-0957923-A1 SULFONYLUREA-GLITAZONE SYNERGISTIC COMBINATIONS FOR DIABETES WARNER-LAMBERT COMPANY (US) 1999-11-24 EP disclosed
US-5972973-A SYNERGISTIC MIXTURE; GLUCOSE CONTROL WARNER-LAMBERT COMPANY (US) 1999-10-26 US disclosed
US-5859037-A MIXTURE SYNERGISTIC FOR THE TREATMENT OF NON-INSULIN DEPENDENT DIABETES MELLITUS IN HUMANS, WHICH ALSO IMPROVES GLYCEMIC CONTROL WARNER-LAMBERT COMPANY (US) 1999-01-12 US disclosed
WO-1998036755-A1 SULFONYLUREA-GLITAZONE SYNERGISTIC COMBINATIONS FOR DIABETES WARNER LAMBERT COMPANY (US) 1998-08-27 WO disclosed