SCHEMBL30285850

SCHEMBL30285850

O=C(Cc1cc(NC(=O)Cc2ccccc2Cl)cnn1)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ5 P48544 7/20 0.57
▸ KCNJ3 P48549 7/20 0.57
▸ KCNJ6 P48051 3/20 0.52
▸ CLK2 P49760 1/20 0.51
▸ PRKX P51817 1/20 0.51
▸ CAMK2D Q13557 1/20 0.51
▸ PKN2 Q16513 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51
▸ STK17A Q9UEE5 1/20 0.51
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ ANO1 Q5XXA6 1/20 0.46
▸ GLS O94925 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAPK8 P45983 1/20 0.44

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
SCHEMBL29005424 1.00 KCNJ5 (0.57) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL26186441 0.85 KCNJ5 (0.59) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL30285495 0.85 KCNJ5 (0.59) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL26186446 0.84 KCNJ5 (0.56) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL30285692 0.84 KCNJ5 (0.56) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL30403682 0.80 ROCK2 (0.48) KCNJ5KCNJ3ANO1MEN1KMT2A
SCHEMBL29029217 0.80 ROCK2 (0.48) KCNJ5KCNJ3ANO1MEN1KMT2A
SCHEMBL30403470 0.80 SMN1; SMN2 (0.49) KCNJ5KCNJ3KCNJ6ANO1MEN1
SCHEMBL29029246 0.80 SMN1; SMN2 (0.49) KCNJ5KCNJ3KCNJ6ANO1MEN1
SCHEMBL30285634 0.77 P2RX4 (0.54) KCNJ5KCNJ3KCNJ6CLK2PRKX

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-115996911-A Substituted N-phenylacetamides having P2X4 receptor antagonistic activity 拜耳公司 2023-04-21 — — CN disclosed
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