SCHEMBL31553262

SCHEMBL31553262

Cc1ccc(S(=O)(=O)n2cc(-c3cn[nH]c3)c3cc(Br)cnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LRRK2 Q5S007 1/20 0.39
CHUK O15111 2/20 0.39
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BRD4 O60885 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.33
ALDH3A1 P30838 1/20 0.33
HTT P42858 1/20 0.33
NOD1 Q9Y239 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
SCHEMBL2752527 0.89 HTR6 (0.41) PTPN11L3MBTL1CA1CA2CHUK
SCHEMBL31396616 0.88 PTPN11 (0.53) PTPN11L3MBTL1CA1CA2ENPP3
SCHEMBL23247251 0.85 L3MBTL1 (0.58) PTPN11L3MBTL1CA1CA2ENPP3
SCHEMBL31344454 0.84 PTPN11 (0.50) PTPN11L3MBTL1ENPP3ENPP1MEN1
SCHEMBL28769925 0.84 CHUK (0.39) PTPN11CHUKBRD4BMPR1BKDR
SCHEMBL8443781 0.83 BRD4 (0.44) PTPN11L3MBTL1CA1CA2CHUK
SCHEMBL31396508 0.83 PTPN11 (0.47) PTPN11L3MBTL1CA1CA2ENPP3
SCHEMBL31396553 0.83 PTPN11 (0.54) PTPN11L3MBTL1CA1CA2ENPP3
SCHEMBL720190 0.83 PTPN11 (0.49) PTPN11L3MBTL1ENPP3ENPP1MEN1
SCHEMBL31396517 0.83 PTPN11 (0.49) PTPN11L3MBTL1CA1CA2ENPP3

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-114685490-B Pyrrolopyridine compound and application thereof 南京再明医药有限公司 2025-03-28 CN disclosed