SCHEMBL29005472

SCHEMBL29005472

O=C(Cc1ccccc1Cl)Nc1ccnc(CC(=O)Nc2ccccc2C(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 11/20 0.55
▸ KCNJ5 P48544 5/20 0.51
▸ KCNJ3 P48549 5/20 0.51
▸ P2RX4 Q99571 1/20 0.46
▸ KCNJ6 P48051 1/20 0.45
▸ RORA P35398 1/20 0.45
▸ NR2E1 Q9Y466 1/20 0.45
▸ CLK2 P49760 1/20 0.44
▸ PRKX P51817 1/20 0.44
▸ CAMK2D Q13557 1/20 0.44
▸ PKN2 Q16513 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ STK17A Q9UEE5 1/20 0.44
▸ NR1I2 O75469 1/20 0.43

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
SCHEMBL30403121 0.78 ALDH1A1 (0.50) ANO1
SCHEMBL26186573 0.76 P2RX4 (0.60) ANO1KCNJ5KCNJ3P2RX4KCNJ6
SCHEMBL21198480 0.73 ANO1 (0.71) ANO1KCNJ5KCNJ3KCNJ6
SCHEMBL31306626 0.73 ANO1 (0.71) ANO1KCNJ5KCNJ3KCNJ6
SCHEMBL30368230 0.71 JAK2 (0.62) ANO1KCNJ5KCNJ3P2RX4KCNJ6
SCHEMBL30502369 0.71 KCNJ5 (0.68) ANO1KCNJ5KCNJ3KCNJ6CLK2
SCHEMBL21198045 0.71 ANO1 (1.00) ANO1
SCHEMBL31306145 0.71 ANO1 (1.00) ANO1
SCHEMBL25902500 0.71 ANO1 (0.51) ANO1KCNJ5KCNJ3P2RX4KCNJ6
SCHEMBL31306581 0.70 ANO1 (0.71) ANO1KCNJ5KCNJ3KCNJ6RORA

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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