SCHEMBL23448558

SCHEMBL23448558

NSc1cc(NC(=O)Cc2ccccc2Cl)cc2n[nH]cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 6/20 0.47
KCNJ3 P48549 6/20 0.47
CLK2 P49760 1/20 0.45
PRKX P51817 1/20 0.45
CAMK2D Q13557 1/20 0.45
PKN2 Q16513 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
STK17A Q9UEE5 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
NR1I2 O75469 1/20 0.44
KCNJ6 P48051 2/20 0.43
ALDH1A1 P00352 2/20 0.43
P2RX4 Q99571 4/20 0.42
NR2E1 Q9Y466 3/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
RORA P35398 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
SCHEMBL23449117 0.85 KCNJ5 (0.51) KCNJ5KCNJ3CLK2PRKXCAMK2D
SCHEMBL23619948 0.83 KCNJ5 (0.49) KCNJ5KCNJ3CLK2PRKXCAMK2D
SCHEMBL23448418 0.82 P2RX4 (0.58) P2RX4
SCHEMBL29810366 0.82 P2RX4 (0.58) P2RX4
SCHEMBL23620039 0.82 KCNJ5 (0.48) KCNJ5KCNJ3CLK2PRKXCAMK2D
SCHEMBL24713400 0.81 KCNJ5 (0.47) KCNJ5KCNJ3CLK2PRKXCAMK2D
SCHEMBL24713423 0.80 CLK2 (0.47) KCNJ5KCNJ3CLK2PRKXCAMK2D
SCHEMBL25591880 0.80 KCNJ5 (0.53) KCNJ5KCNJ3ROCK2ROCK1KCNJ6
SCHEMBL23620069 0.80 CSNK1D (0.46) KCNJ5KCNJ3CLK2PRKXCAMK2D
SCHEMBL23619781 0.79 KCNJ5 (0.45) KCNJ5KCNJ3CLK2PRKXCAMK2D

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-2021104486-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2021-06-03 WO disclosed