SCHEMBL29200411

SCHEMBL29200411

O=C(Cc1ccccc1Cl)Nc1cccc(CCl)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 7/20 0.72
KCNJ3 P48549 7/20 0.72
KCNJ6 P48051 3/20 0.64
ACKR3 P25106 2/20 0.55
NR1I2 O75469 1/20 0.54
CLK2 P49760 1/20 0.53
PRKX P51817 1/20 0.53
CAMK2D Q13557 1/20 0.53
PKN2 Q16513 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
STK17A Q9UEE5 1/20 0.53
P2RX4 Q99571 4/20 0.52
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
THRB P10828 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ANO1 Q5XXA6 1/20 0.50
GAA P10253 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
SCHEMBL30802695 1.00 KCNJ5 (0.72) KCNJ5KCNJ3KCNJ6ACKR3NR1I2
SCHEMBL29200421 0.89 KCNJ5 (0.72) KCNJ5KCNJ3KCNJ6ACKR3NR1I2
SCHEMBL30802690 0.89 KCNJ5 (0.72) KCNJ5KCNJ3KCNJ6ACKR3NR1I2
SCHEMBL30802689 0.85 CA12 (0.53) KCNJ5KCNJ3KCNJ6LMNAALDH1A1
SCHEMBL29200401 0.85 CA12 (0.53) KCNJ5KCNJ3KCNJ6LMNAALDH1A1
SCHEMBL31729852 0.82 KCNJ5 (0.74) KCNJ5KCNJ3KCNJ6CLK2PRKX
SCHEMBL30802681 0.80 MEN1 (0.66) KCNJ5KCNJ3ACKR3ALDH1A1MEN1
SCHEMBL29200352 0.80 NLRP3 (0.72) KCNJ5KCNJ3KCNJ6LMNAALDH1A1
SCHEMBL29200413 0.80 MEN1 (0.66) KCNJ5KCNJ3ACKR3ALDH1A1MEN1
SCHEMBL30802669 0.80 NLRP3 (0.72) KCNJ5KCNJ3KCNJ6LMNAALDH1A1

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-117658868-A Benzamide derivative and preparation method and application thereof 中山大学 2024-03-08 CN disclosed