SCHEMBL30125366

SCHEMBL30125366

C=C(c1ccccc1)n1c2ccccc2c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AGTR1 P30556 2/20 0.42
GPR3 P46089 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP19A1 P11511 1/20 0.38
FABP3 P05413 1/20 0.37

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
SCHEMBL10648275 1.00 P2RX4 (0.48) P2RX4POLBKDM4EATML3MBTL1
SCHEMBL28445755 0.80 POLB (0.48) P2RX4POLBKDM4EATML3MBTL1
SCHEMBL872109 0.74 P2RX4 (0.81) P2RX4POLBLMNAMAPTHTT
SCHEMBL2122017 0.73 POLB (0.61) P2RX4POLBKDM4EATML3MBTL1
SCHEMBL31392935 0.73 POLB (0.61) P2RX4POLBKDM4EATML3MBTL1
SCHEMBL12901610 0.73 POLB (0.50) P2RX4POLBKDM4EATML3MBTL1
SCHEMBL31392936 0.73 POLB (0.61) P2RX4POLBKDM4EATML3MBTL1
SCHEMBL126942 0.72 POLB (0.55) P2RX4POLBKDM4EATML3MBTL1
SCHEMBL30344008 0.70 POLB (0.64) P2RX4POLBKDM4EATML3MBTL1
SCHEMBL1180653 0.70 POLB (0.64) P2RX4POLBKDM4EATML3MBTL1

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
CN-115594624-A Preparation method of N-terminal alkenyl azaarene 长沙资材科技有限公司(CN) 2023-01-13 CN disclosed