SCHEMBL29285148

SCHEMBL29285148

Cc1ccc(S(=O)(=O)Nc2ncc(C#N)c(Cl)c2I)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
SLC22A12 Q96S37 7/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIK3CD O00329 1/20 0.38
PLA2G7 Q13093 1/20 0.38
GAA P10253 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
SCHEMBL20536139 0.81 MEN1 (0.51) MEN1KMT2ATDP1SMN1; SMN2HIF1A
SCHEMBL30835243 0.74 KMT2A (0.48) MEN1KMT2ATDP1SMN1; SMN2HIF1A
SCHEMBL27082578 0.74 KMT2A (0.48) MEN1KMT2ATDP1SMN1; SMN2HIF1A
SCHEMBL22654320 0.68 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL30949870 0.68 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL29882873 0.68 MEN1 (0.56) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL4651006 0.68 APP (0.57) KMT2ASLC22A12ALDH1A1GAA
SCHEMBL28417549 0.68 MEN1 (0.56) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL4649684 0.68 SLC22A12 (0.54) KMT2ASLC22A12ALDH1A1GAA
SCHEMBL18059677 0.68 BRD4 (0.38) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1

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-117964643-B Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-07-02 CN disclosed
CN-117964643-A Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-05-03 CN disclosed