SCHEMBL7086957

SCHEMBL7086957

Cc1ccc(OC(=O)OC(C)(C)C)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.70
RAB9A P51151 9/20 0.70
ALDH1A1 P00352 7/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
MAPT P10636 7/20 0.60
KDM4E B2RXH2 7/20 0.60
HPGD P15428 6/20 0.60
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
POLB P06746 2/20 0.57
IGF2BP2 Q9Y6M1 1/20 0.54
THRB P10828 1/20 0.54
LMNA P02545 3/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 1/20 0.40

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
SCHEMBL17171768 0.86 NPC1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL563078 0.83 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL28710441 0.80 NPC1 (0.74) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL11339738 0.80 NPC1 (0.74) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29575333 0.80 NPC1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL285733 0.80 NPC1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL11396153 0.79 NPC1 (0.72) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL11593974 0.79 NPC1 (0.72) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL11593721 0.79 IGF2BP2 (0.81) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315775 0.78 NPC1 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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
WO-2003080364-A1 SECURITY PAPER AND OTHER SECURITY ITEMS LANDQART (CH) 2003-10-02 WO disclosed
EP-1348575-A1 Security paper and other security items Landqart (CH) 2003-10-01 EP disclosed