SCHEMBL23620030

SCHEMBL23620030

COCCOc1ccc2c(SN)cc(NC(=O)Cc3ccccc3Cl)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.42
ANO1 Q5XXA6 7/20 0.42
KCNJ5 P48544 3/20 0.41
KCNJ3 P48549 3/20 0.41
CSNK1D P48730 2/20 0.41
NR1I2 O75469 1/20 0.41
KCNJ6 P48051 1/20 0.40
RECQL P46063 1/20 0.39
CLK2 P49760 1/20 0.39
PRKX P51817 1/20 0.39
CAMK2D Q13557 1/20 0.39
PKN2 Q16513 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
STK17A Q9UEE5 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
RORA P35398 1/20 0.39
NR2E1 Q9Y466 1/20 0.39

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
SCHEMBL23620069 0.90 CSNK1D (0.46) P2RX4ANO1KCNJ5KCNJ3CSNK1D
SCHEMBL23620087 0.86 ANO1 (0.44) P2RX4ANO1KCNJ5KCNJ3CSNK1D
SCHEMBL24713538 0.85 CSNK1D (0.48) P2RX4KCNJ5KCNJ3CSNK1DKCNJ6
SCHEMBL30812928 0.85 P2RX4 (0.56) P2RX4
SCHEMBL25144354 0.85 P2RX4 (0.56) P2RX4
SCHEMBL23620039 0.83 KCNJ5 (0.48) P2RX4ANO1KCNJ5KCNJ3CSNK1D
SCHEMBL24713400 0.82 KCNJ5 (0.47) P2RX4ANO1KCNJ5KCNJ3CSNK1D
SCHEMBL23620022 0.81 CSNK1D (0.44) P2RX4ANO1KCNJ5KCNJ3CSNK1D
SCHEMBL23619948 0.80 KCNJ5 (0.49) P2RX4ANO1KCNJ5KCNJ3NR1I2
SCHEMBL23619781 0.80 KCNJ5 (0.45) P2RX4ANO1KCNJ5KCNJ3CSNK1D

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
EP-4079724-A1 FUSED RING COMPOUND AND APPLICATION THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-10-26 EP disclosed
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