SCHEMBL28401034

SCHEMBL28401034

N#Cc1ccc2c(=O)c3ccc(C#N)cc3oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ADRB2 P07550 1/20 0.49
TLR9 Q9NR96 1/20 0.48
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
MAOA P21397 3/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
PGAM1 P18669 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL11337288 0.93 RAB9A (0.50) RAB9AL3MBTL1NPC1MEN1KMT2A
SCHEMBL16117996 0.91 RAB9A (0.64) RAB9AL3MBTL1NPC1MEN1KMT2A
SCHEMBL548396 0.87 IDO1 (0.45) RAB9AL3MBTL1NPC1MEN1KMT2A
SCHEMBL490648 0.86 NPC1 (0.64) RAB9AL3MBTL1NPC1MEN1KMT2A
SCHEMBL11340455 0.84 MAPT (0.52) RAB9AL3MBTL1NPC1MEN1KMT2A
SCHEMBL10453646 0.82 CYP2A6 (0.44) RAB9AL3MBTL1NPC1MEN1KMT2A
SCHEMBL10453458 0.82 NPC1 (0.68) RAB9ANPC1MEN1KMT2ATLR9
SCHEMBL10452832 0.82 TLR9 (0.42) RAB9AL3MBTL1NPC1MEN1KMT2A
SCHEMBL31161245 0.80 MAOA (0.60) RAB9AL3MBTL1NPC1MEN1KMT2A
SCHEMBL11373382 0.80 MAOA (0.60) RAB9AL3MBTL1NPC1MEN1KMT2A

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
CN-111269419-A Polyimide applicable to FOLED substrate and preparation method thereof 湖南工业大学 2020-06-12 CN disclosed
CN-111040159-A High-barrier polyimide containing high-planarity structure and preparation method and application thereof 湖南工业大学 2020-04-21 CN disclosed