SCHEMBL29025269

SCHEMBL29025269

O=S(=O)(c1cccc(Nc2cc(Br)ccn2)c1)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ATM Q13315 1/20 0.55
GAA P10253 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
KDM4E B2RXH2 2/20 0.52
HTT P42858 1/20 0.52
ERBB2 P04626 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KCNA5 P22460 1/20 0.48
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48

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
SCHEMBL29025244 0.87 MEN1 (0.54) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL29025274 0.87 IKBKB (0.48) KMT2AMEN1ATMALDH1A1PKM
SCHEMBL30565226 0.81 ROCK1 (0.64) KMT2AMEN1ATMGAAALDH1A1
SCHEMBL30023094 0.81 KMT2A (0.65) KMT2AMEN1ATMGAAALDH1A1
SCHEMBL12517875 0.78 TNNI3K (0.70)
SCHEMBL100316 0.78 ALDH1A1 (0.62) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL3458402 0.77 JAK2 (0.56) KMT2AMEN1ATMGAAALDH1A1
SCHEMBL29025262 0.76 MAPT (0.49) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL4181489 0.76 TGFBR1 (0.58) KMT2AMEN1ATMALDH1A1ERBB2
SCHEMBL3621519 0.75 MEN1 (0.48) KMT2AMEN1ATMGAAALDH1A1

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-115160298-B Tacrine-sulfonamide derivative and preparation method and application thereof 中国人民解放军北部战区总医院 2023-05-23 CN disclosed