SCHEMBL20041610

SCHEMBL20041610

c1ccc(-c2cccc(-c3ccc4nc5oc6ccccc6n5c4c3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
BACE1 P56817 1/20 0.35
PIK3CA P42336 2/20 0.34
PGR P06401 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3R1 P27986 1/20 0.34
PLA2G2A P14555 1/20 0.34
PLA2G4A P47712 1/20 0.34
NPM1 P06748 1/20 0.34
ALK Q9UM73 1/20 0.34
CYP26A1 O43174 1/20 0.33

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
SCHEMBL17507363 0.97 NPC1 (0.54) NPC1RAB9AGAAL3MBTL1KDM4E
SCHEMBL22357700 0.92 NPC1 (0.49) NPC1RAB9AGAAL3MBTL1KDM4E
SCHEMBL17507364 0.90 NPC1 (0.44) NPC1RAB9AGAAL3MBTL1KDM4E
SCHEMBL20041658 0.89 NPC1 (0.48) NPC1RAB9AGAAL3MBTL1KDM4E
SCHEMBL22357575 0.89 NPC1 (0.46) NPC1RAB9AGAAL3MBTL1KDM4E
SCHEMBL22357713 0.89 NPC1 (0.46) NPC1RAB9AGAAL3MBTL1KDM4E
SCHEMBL18701303 0.89 NPC1 (0.46) NPC1RAB9AGAAL3MBTL1KDM4E
SCHEMBL18701361 0.89 NPC1 (0.46) NPC1RAB9AGAAL3MBTL1KDM4E
SCHEMBL20041609 0.88 NPC1 (0.45) NPC1RAB9AGAAL3MBTL1KDM4E
SCHEMBL17507251 0.86 NPC1 (0.50) NPC1RAB9AGAAL3MBTL1KDM4E

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
EP-2982676-B1 Benzimidazo[2,1-B]benzoxazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed