SCHEMBL7985305

SCHEMBL7985305

CCCCNc1nc(N)nc(NC(=O)OCCCC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ACHE P22303 7/20 0.42
TLR8 Q9NR97 3/20 0.42
TLR7 Q9NYK1 3/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
CDK9 P50750 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
SCHEMBL2907201 0.92 RAB9A (0.49) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL8700894 0.90 RAB9A (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL7772250 0.89 RAB9A (0.49) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL2909014 0.87 RAB9A (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL994563 0.84 RAB9A (0.55) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL10621244 0.81 RAB9A (0.40) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL7990159 0.80 POLB (0.49) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL6257450 0.80 RAB9A (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL6675218 0.79 TSHR (0.56) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL2906397 0.79 RAB9A (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204382-B1 CARBOXYLATION WITH CARBON DIOXIDE CYTEC TECHNOLOGY CORP. 2001-03-20 US disclosed
US-5792864-A Processes for preparing isocyanate functional 1,3,5-triazines and derivatives thereof CYTEC TECHNOLOGY CORP. (US) 1998-08-11 US disclosed
US-5792865-A Carboxylated amino-1,3,5-triazines, derivatives thereof and processes for preparing the same CYTEC TECHNOLOGY CORP. (US) 1998-08-11 US disclosed
US-5641885-A Carboxylated amino-1,3,5 triazines and derivatives thereof CYTEC TECHNOLOGY CORP. (US) 1997-06-24 US disclosed
EP-0776321-A1 PROCESS FOR THE PREPARATION OF CARBOXYLATED AMINO-1,3,5-TRIAZINES AND DERIVATIVES THEREOF CYTEC TECHNOLOGY CORP. (US) 1997-06-04 EP disclosed
WO-1996004258-A1 PROCESS FOR THE PREPARATION OF CARBOXYLATED AMINO-1,3,5-TRIAZINES AND DERIVATIVES THEREOF CYTEC TECHNOLOGY CORP. (US) 1996-02-15 WO disclosed