SCHEMBL29596125

SCHEMBL29596125

Cc1ccc(S(=O)(=O)c2c(C)nn(S(=O)(=O)c3ccc(C)cc3)c2-c2ccc(Br)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.53
▸ POLB P06746 1/20 0.49
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 5/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ MCOLN3 Q8TDD5 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL28720781 0.93 POLB (0.54) TP53POLBMEN1KMT2AMAPT
SCHEMBL28721611 0.87 POLB (0.49) POLBMEN1KMT2AMAPTLMNA
SCHEMBL29596624 0.87 TP53 (0.53) TP53POLBMEN1KMT2AMAPT
SCHEMBL28722166 0.87 NR1H2 (0.54) POLBMEN1KMT2AMAPTLMNA
SCHEMBL28721605 0.85 KMT2A (0.56) POLBMEN1KMT2AMAPTLMNA
SCHEMBL29597503 0.81 MAPT (0.53) POLBMEN1KMT2AMAPTLMNA
SCHEMBL29597097 0.81 MAPT (0.50) TP53POLBMEN1KMT2AMAPT
SCHEMBL28721606 0.81 MAPT (0.46) POLBMEN1KMT2AMAPTLMNA
SCHEMBL29493433 0.80 KMT2A (0.49) POLBMEN1KMT2AMAPTLMNA
SCHEMBL28720779 0.78 POLB (0.70) TP53POLBMEN1KMT2AMAPT

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
Send feedback