SCHEMBL29596169

SCHEMBL29596169

Cc1ccc(S(=O)(=O)c2c(C)nn(S(=O)(=O)c3ccc(-c4ccccc4)cc3)c2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.60
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ NR1H2 P55055 1/20 0.53
▸ NR1H3 Q13133 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TP53 P04637 3/20 0.48
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ THRB P10828 1/20 0.44

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
SCHEMBL28720779 0.90 POLB (0.70) POLBKMT2AMEN1ALDH1A1TP53
SCHEMBL28722166 0.85 NR1H2 (0.54) POLBKMT2AMEN1NR1H2NR1H3
SCHEMBL29596042 0.84 POLB (0.62) POLBKMT2AMEN1ALDH1A1TP53
SCHEMBL29596525 0.84 POLB (0.62) POLBKMT2AMEN1ALDH1A1TP53
SCHEMBL29596028 0.82 ALDH1A1 (0.55) POLBKMT2AMEN1ALDH1A1HPGD
SCHEMBL29596954 0.82 POLB (0.60) POLBKMT2AMEN1ALDH1A1TP53
SCHEMBL28720781 0.81 POLB (0.54) POLBKMT2AMEN1NR1H2NR1H3
SCHEMBL29597017 0.81 POLB (0.58) POLBKMT2AMEN1ALDH1A1TP53
SCHEMBL29597503 0.80 MAPT (0.53) POLBKMT2AMEN1NR1H2NR1H3
SCHEMBL29597097 0.80 MAPT (0.50) POLBKMT2AMEN1NR1H2NR1H3

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-112961109-B 1, 4-disulfonylated fully-substituted pyrazole compound and preparation and application thereof 台州学院 2022-05-17 — — CN disclosed
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