SCHEMBL24687034

SCHEMBL24687034

O=C(Cc1ccccc1Cl)Nc1ccc(CO)c(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ5 P48544 7/20 0.61
▸ KCNJ3 P48549 7/20 0.61
▸ KCNJ6 P48051 3/20 0.55
▸ CLK2 P49760 1/20 0.54
▸ PRKX P51817 1/20 0.54
▸ CAMK2D Q13557 1/20 0.54
▸ PKN2 Q16513 1/20 0.54
▸ CLK4 Q9HAZ1 1/20 0.54
▸ STK17A Q9UEE5 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ P2RX4 Q99571 7/20 0.53
▸ POLB P06746 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ NR1I2 O75469 1/20 0.49
▸ ERCC1 P07992 1/20 0.49

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
SCHEMBL24685908 0.90 KCNJ5 (0.61) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL24687088 0.85 ROCK2 (0.49) KCNJ5KCNJ3ALDH1A1LMNAMEN1
SCHEMBL24687094 0.83 ANO1 (0.52) KCNJ5KCNJ3KCNJ6ALDH1A1LMNA
SCHEMBL24686768 0.83 P2RX4 (0.69) KCNJ5KCNJ3KCNJ6ALDH1A1LMNA
SCHEMBL24686362 0.82 SMN1; SMN2 (0.58) LMNAMEN1KMT2AP2RX4POLB
SCHEMBL32664293 0.82 KCNJ5 (0.61) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL24686639 0.81 KCNJ5 (0.55) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL15741746 0.80 KCNJ5 (0.68) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL24686766 0.80 MEN1 (0.57) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL24686674 0.80 KCNJ5 (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
WO-2022161416-A1 AROMATIC COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2022-08-04 — — WO disclosed
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