SCHEMBL23620069

SCHEMBL23620069

COc1ccc2c(SN)cc(NC(=O)Cc3ccccc3Cl)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.46
RECQL P46063 1/20 0.45
KCNJ5 P48544 4/20 0.44
KCNJ3 P48549 4/20 0.44
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
KCNJ6 P48051 1/20 0.43
CLK2 P49760 1/20 0.42
PRKX P51817 1/20 0.42
CAMK2D Q13557 1/20 0.42
PKN2 Q16513 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
STK17A Q9UEE5 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
P2RX4 Q99571 3/20 0.42
NR1I2 O75469 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
ANO1 Q5XXA6 2/20 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
SCHEMBL24713538 0.91 CSNK1D (0.48) CSNK1DRECQLKCNJ5KCNJ3ROCK2
SCHEMBL23620022 0.91 CSNK1D (0.44) CSNK1DRECQLKCNJ5KCNJ3ROCK2
SCHEMBL23620030 0.90 P2RX4 (0.42) CSNK1DRECQLKCNJ5KCNJ3ROCK2
SCHEMBL23619776 0.88 NR1I2 (0.46) CSNK1DRECQLKCNJ5KCNJ3ROCK2
SCHEMBL23620039 0.87 KCNJ5 (0.48) CSNK1DKCNJ5KCNJ3KCNJ6CLK2
SCHEMBL24713400 0.86 KCNJ5 (0.47) CSNK1DKCNJ5KCNJ3KCNJ6CLK2
SCHEMBL23619775 0.85 CSNK1D (0.48) CSNK1DRECQLKCNJ5KCNJ3ROCK2
SCHEMBL23620101 0.85 MAPT (0.48) CSNK1DROCK2ROCK1CLK2PRKX
SCHEMBL23620043 0.84 RECQL (0.48) CSNK1DRECQLKCNJ5KCNJ3ROCK2
SCHEMBL30812826 0.84 P2RX4 (0.56) 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
WO-2021136238-A1 FUSED RING COMPOUND AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2021-07-08 WO disclosed