SCHEMBL28897908

SCHEMBL28897908

O=S(=O)(c1ccc(F)cc1)N1N=C(c2ccc(F)cc2)CC1c1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.65
MEN1 O00255 5/20 0.65
MAPT P10636 5/20 0.65
NPSR1 Q6W5P4 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 1/20 0.65
S1PR2 O95136 1/20 0.65
S1PR4 O95977 1/20 0.65
LMNA P02545 1/20 0.65
GLA P06280 1/20 0.65
GAA P10253 1/20 0.65
HPGD P15428 1/20 0.65
S1PR1 P21453 1/20 0.65
NTSR1 P30989 1/20 0.65
HTT P42858 1/20 0.65
ATM Q13315 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56

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
SCHEMBL23052579 0.94 MEN1 (0.60) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL23052500 0.94 KMT2A (0.65) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL28440902 0.88 PSMD14 (0.61) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL23052580 0.88 PSMD14 (0.61) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL23052112 0.88 KMT2A (0.71) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL30435021 0.86 KMT2A (0.53) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL28442689 0.86 KMT2A (0.53) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL28450609 0.86 KMT2A (0.53) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL30435684 0.85 MAPT (0.76) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL28450973 0.83 MAOA (0.67) KMT2AMEN1MAPTL3MBTL1HTT

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-111423374-B Dihydropyrazole sulfonamide compound and preparation method and application thereof 合肥工业大学 2023-03-21 CN disclosed
CN-111423374-A Dihydropyrazole sulfonamide compound and preparation method and application thereof 合肥工业大学 2020-07-17 CN disclosed