SCHEMBL28836742

SCHEMBL28836742

Cc1ccc(C2=Cc3ccccc3N(S(=O)(=O)c3ccccc3C)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
KCNN4 O15554 1/20 0.40
KCNA3 P22001 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
HSD11B1 P28845 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP2 P08253 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
P2RX4 Q99571 1/20 0.33
CD4 P01730 1/20 0.33

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
SCHEMBL28836713 0.91 MEN1 (0.38) HSD17B10KCNN4KCNA3MEN1KMT2A
SCHEMBL30688098 0.85 KCNN4 (0.56) KCNN4KCNA3CTSGCMA1HSD11B1
SCHEMBL29101134 0.85 KCNN4 (0.56) KCNN4KCNA3CTSGCMA1HSD11B1
SCHEMBL28952599 0.82 HSD17B10 (0.43) HSD17B10KCNN4KCNA3MEN1KMT2A
SCHEMBL29714451 0.81 KCNN4 (0.54) KCNN4KCNA3CTSGCMA1L3MBTL1
SCHEMBL28836746 0.81 KCNN4 (0.54) KCNN4KCNA3CTSGCMA1L3MBTL1
SCHEMBL30688097 0.80 LMNA (0.52) KCNN4KCNA3MEN1KMT2AHSD11B1
SCHEMBL29101145 0.80 LMNA (0.52) KCNN4KCNA3MEN1KMT2AHSD11B1
SCHEMBL28836744 0.77 TSHR (0.48) KCNN4KCNA3MEN1KMT2ACTSG
SCHEMBL28836780 0.77 KCNN4 (0.50) KCNN4KCNA3MEN1KMT2AL3MBTL1

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