SCHEMBL28685402

SCHEMBL28685402

Cc1ccc(S(=O)(=O)n2ccc3c(Br)cc(Cl)nc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
BRD4 O60885 1/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
PKM P14618 3/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
RAPGEF4 Q8WZA2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ACVR1 Q04771 1/20 0.38
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
ALDH3A1 P30838 1/20 0.36
NOD1 Q9Y239 1/20 0.36
HTR6 P50406 2/20 0.36
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35

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
SCHEMBL23147830 0.87 L3MBTL1 (0.51) L3MBTL1BRD4CA1CA2PKM
SCHEMBL29721803 0.87 L3MBTL1 (0.51) L3MBTL1BRD4CA1CA2PKM
SCHEMBL30690865 0.82 L3MBTL1 (0.47) L3MBTL1BRD4CA1CA2RAPGEF4
SCHEMBL21354079 0.82 L3MBTL1 (0.47) L3MBTL1BRD4CA1CA2RAPGEF4
SCHEMBL28721164 0.82 L3MBTL1 (0.49) L3MBTL1BRD4CA1CA2PKM
SCHEMBL29548843 0.82 L3MBTL1 (0.49) L3MBTL1BRD4CA1CA2PKM
SCHEMBL21439101 0.81 L3MBTL1 (0.46) L3MBTL1BRD4CA1CA2PKM
SCHEMBL21439147 0.81 L3MBTL1 (0.46) L3MBTL1BRD4CA1CA2RAPGEF4
SCHEMBL23762156 0.81 L3MBTL1 (0.46) L3MBTL1BRD4PKMALDH1A1MAPT
SCHEMBL31246107 0.81 L3MBTL1 (0.50) L3MBTL1BRD4CA1CA2PKM

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-110183471-B Piperazine derivative, preparation method and application 江苏大学 2022-02-15 CN claimed
CN-110183471-B Piperazine derivative, preparation method and application 江苏大学 2022-02-15 CN disclosed