SCHEMBL30812873

SCHEMBL30812873

O=C(Cc1ccccc1Cl)Nc1cc(SCc2ccccc2)c2cccnc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.52
KCNJ5 P48544 4/20 0.46
KCNJ3 P48549 4/20 0.46
ANO1 Q5XXA6 4/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CLK1 P49759 1/20 0.44
P2RX4 Q99571 4/20 0.43
BCHE P06276 1/20 0.43
RORA P35398 1/20 0.42
NR2E1 Q9Y466 1/20 0.42
KCNJ6 P48051 1/20 0.42
CLK2 P49760 1/20 0.41
PRKX P51817 1/20 0.41
CAMK2D Q13557 1/20 0.41
PKN2 Q16513 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
STK17A Q9UEE5 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL23619877 1.00 NR1I2 (0.52) NR1I2KCNJ5KCNJ3ANO1MAPT
SCHEMBL23619942 0.88 KCNJ5 (0.49) NR1I2KCNJ5KCNJ3ANO1MAPT
SCHEMBL23619948 0.88 KCNJ5 (0.49) NR1I2KCNJ5KCNJ3ANO1MAPT
SCHEMBL25144105 0.85 NR1I2 (0.48) NR1I2KCNJ5KCNJ3ANO1P2RX4
SCHEMBL23619776 0.82 NR1I2 (0.46) NR1I2KCNJ5KCNJ3ANO1P2RX4
SCHEMBL30812897 0.81 KCNJ5 (0.51) NR1I2KCNJ5KCNJ3ANO1P2RX4
SCHEMBL23619723 0.81 KCNJ5 (0.51) NR1I2KCNJ5KCNJ3ANO1P2RX4
SCHEMBL24713227 0.78 KCNJ5 (0.48) NR1I2KCNJ5KCNJ3ANO1P2RX4
SCHEMBL23619940 0.78 P2RX4 (0.52) NR1I2KCNJ5KCNJ3ANO1P2RX4
SCHEMBL30812834 0.78 P2RX4 (0.52) NR1I2KCNJ5KCNJ3ANO1P2RX4

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-114901642-B Fused ring compound and application thereof 武汉朗来科技发展有限公司 2024-02-23 CN disclosed