SCHEMBL28238540

SCHEMBL28238540

C1=NCN(Nc2ccccc2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.36
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL31003502 0.84 MEN1 (0.35) TDP1
SCHEMBL5792018 0.79 LMNA (0.32)
SCHEMBL16685632 0.73 HTT (0.43) P2RX4
SCHEMBL7041384 0.72 P2RX4 (0.35) P2RX4
SCHEMBL11129882 0.70 P2RX4 (0.40) P2RX4CYP1A2TDP1
SCHEMBL886893 0.69 SIGMAR1 (0.36) P2RX4TDP1
SCHEMBL30843927 0.69 SIGMAR1 (0.36) P2RX4TDP1
SCHEMBL2263869 0.68 KDM4E (0.32) P2RX4
SCHEMBL31006068 0.68 KDM4E (0.32) P2RX4
SCHEMBL3541130 0.68 LMNA (0.34) P2RX4

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-108484632-A Artemisinin-anilinoquinazoline derivatives, and preparation method and application thereof 中国科学院昆明植物研究所 2018-09-04 CN claimed