SCHEMBL8700894

SCHEMBL8700894

CCCCOC(=O)Nc1nc(N)nc(N)n1.CCCCOC(=O)Nc1nc(NC(=O)OCCCC)nc(NC(=O)OCCCC)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.48
NPC1 O15118 9/20 0.48
SMN1; SMN2 Q16637 9/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
STAT1 P42224 1/20 0.45
HPGD P15428 4/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
CASP1 P29466 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MCL1 Q07820 1/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44

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 0.98 RAB9A (0.49) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL7772250 0.98 RAB9A (0.49) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL2909014 0.94 RAB9A (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL994563 0.90 RAB9A (0.55) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL7985305 0.90 RAB9A (0.43) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL10621244 0.87 RAB9A (0.40) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL6257450 0.86 RAB9A (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL2906397 0.85 RAB9A (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL6675218 0.85 TSHR (0.56) RAB9ANPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL2903601 0.85 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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