SCHEMBL28330184

SCHEMBL28330184

Nc1nccn1-c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
NPC1 O15118 2/20 0.49
MAPK1 P28482 1/20 0.49
NCF1 P14598 2/20 0.43
F12 P00748 2/20 0.43
PLAU P00749 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
HCAR1 Q9BXC0 2/20 0.42
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 4/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL9405397 0.79 NPC1 (0.49) PI4KAPI4K2BPI4K2API4KBNPC1
SCHEMBL5638922 0.79 NPC1 (0.49) PI4KAPI4K2BPI4K2API4KBNPC1
SCHEMBL6260533 0.78 GAA (0.47) PI4KAPI4K2BPI4K2API4KBNCF1
SCHEMBL5494756 0.77 KDM4E (0.37) PI4KAPI4K2BPI4K2API4KBNCF1
SCHEMBL27659057 0.77 P2RX4 (0.46) PI4KAPI4K2BPI4K2API4KBNPC1
SCHEMBL4866386 0.77 NPC1 (0.46) PI4KAPI4K2BPI4K2API4KBNPC1
SCHEMBL28367072 0.76 NPC1 (0.45) PI4KAPI4K2BPI4K2API4KBNPC1
SCHEMBL27944468 0.76 NPC1 (0.45) PI4KAPI4K2BPI4K2API4KBNPC1
SCHEMBL17844100 0.75 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBNOS3
SCHEMBL31202561 0.74 CYP2A6 (0.46) PI4KAPI4K2BPI4K2API4KBNPC1

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-110476989-A Application of the Kealiinine Alkaloid in prevention and treatment plant virus germ disease UNIV NANKAI 2019-11-22 CN disclosed
CN-110483405-A Kealiinine analog derivative and its preparation and the application in Antiphytoviral and germ UNIV NANKAI 2019-11-22 CN disclosed