SCHEMBL13241908

SCHEMBL13241908

CCOCNc1nc(NCOCC)nc(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
GBA1 P04062 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
IDH2 P48735 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
PDE5A O76074 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 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
SCHEMBL723370 0.90 NPSR1 (0.62) IDH1NPSR1GBA1POLBKDM4E
SCHEMBL13241909 0.87 IDH1 (0.48) IDH1NPSR1GBA1L3MBTL1SMN1; SMN2
SCHEMBL13765579 0.85 IDH1 (0.49) IDH1NPSR1L3MBTL1IDH2MEN1
SCHEMBL11303621 0.83 NPSR1 (0.58) IDH1NPSR1GBA1POLBKDM4E
SCHEMBL13140695 0.83 IDH1 (0.53) IDH1NPSR1L3MBTL1IDH2ALDH1A1
SCHEMBL8052100 0.80 IDH1 (0.57) IDH1NPSR1L3MBTL1IDH2NPC1
SCHEMBL5954738 0.80 LMNA (0.41) L3MBTL1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL723591 0.78 NPSR1 (0.59) NPSR1POLBKDM4ETP53RAB9A
SCHEMBL6981311 0.77 IDH1 (0.54) IDH1NPSR1L3MBTL1IDH2NPC1
SCHEMBL13140035 0.77 IDH1 (0.63) IDH1NPSR1L3MBTL1IDH2ALDH1A1

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
US-20100183978-A1 SURFACE-TREATING AGENT FOR PATTERN FORMATION AND PATTERN FORMING METHOD USING THE TREATING AGENT FUJIFILM CORPORATION (JP) 2010-07-22 US disclosed
US-20100183978-A1 SURFACE-TREATING AGENT FOR PATTERN FORMATION AND PATTERN FORMING METHOD USING THE TREATING AGENT FUJIFILM CORPORATION (JP) 2010-07-22 US disclosed