SCHEMBL28836780

SCHEMBL28836780

Cc1ccc(S(=O)(=O)N2CC(c3ccncc3)=Cc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.50
KCNA3 P22001 1/20 0.50
MMP2 P08253 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
GBA1 P04062 1/20 0.42
CD4 P01730 3/20 0.42
HSD11B1 P28845 2/20 0.41
P2RX4 Q99571 1/20 0.40
LMNA P02545 3/20 0.40
HTR6 P50406 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL30688098 0.91 KCNN4 (0.56) KCNN4KCNA3MMP2CYP11B1CYP11B2
SCHEMBL29101134 0.91 KCNN4 (0.56) KCNN4KCNA3MMP2CYP11B1CYP11B2
SCHEMBL28836746 0.90 KCNN4 (0.54) KCNN4KCNA3MMP2CD4HSD11B1
SCHEMBL29714451 0.90 KCNN4 (0.54) KCNN4KCNA3MMP2CD4HSD11B1
SCHEMBL28836783 0.87 CYP11B1 (0.53) KCNN4KCNA3MMP2CYP11B1CYP11B2
SCHEMBL29101145 0.85 LMNA (0.52) KCNN4KCNA3MMP2HSD11B1P2RX4
SCHEMBL30688097 0.85 LMNA (0.52) KCNN4KCNA3MMP2HSD11B1P2RX4
SCHEMBL29101146 0.82 KCNN4 (0.47) KCNN4KCNA3MMP2CYP11B1CYP11B2
SCHEMBL28836779 0.81 KCNN4 (0.48) KCNN4KCNA3MMP2CYP11B1CYP11B2
SCHEMBL29714461 0.81 KCNN4 (0.48) KCNN4KCNA3MMP2CYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716374-B 3-bit substituted dihydroquinoline derivative and preparation method thereof 武汉工程大学 2023-11-07 CN disclosed
CN-114716374-A 3-substituted dihydroquinoline derivative and preparation method thereof 武汉工程大学 2022-07-08 CN disclosed