SCHEMBL26994271

SCHEMBL26994271

Cc1ccc(S(=O)(=O)N/N=C\c2cncc(Nc3ccc(Br)cc3F)c2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.54
▸ MAPT P10636 5/20 0.54
▸ RBM39 Q14498 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KMT2A Q03164 8/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 3/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ KCNA5 P22460 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL30746561 1.00 ALDH1A1 (0.54) ALDH1A1MAPTRBM39SMN1; SMN2KMT2A
SCHEMBL26985012 0.89 ALDH1A1 (0.47) ALDH1A1MAPTRBM39SMN1; SMN2KMT2A
SCHEMBL30746537 0.89 ALDH1A1 (0.47) ALDH1A1MAPTRBM39SMN1; SMN2KMT2A
SCHEMBL30746641 0.81 ALDH1A1 (0.47) ALDH1A1MAPTRBM39SMN1; SMN2KMT2A
SCHEMBL26984983 0.81 ALDH1A1 (0.47) ALDH1A1MAPTRBM39SMN1; SMN2KMT2A
SCHEMBL26985292 0.77 TP53 (0.40) MAPTKMT2ALMNAGAAL3MBTL1
SCHEMBL30746459 0.77 TP53 (0.40) MAPTKMT2ALMNAGAAL3MBTL1
SCHEMBL34463286 0.74 ALDH1A1 (0.58) ALDH1A1MAPTRBM39SMN1; SMN2KMT2A
SCHEMBL30746472 0.72 ALDH1A1 (0.48) ALDH1A1MAPTRBM39SMN1; SMN2KMT2A
SCHEMBL26985182 0.72 ALDH1A1 (0.48) ALDH1A1MAPTRBM39SMN1; SMN2KMT2A

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
WO-2024010925-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS NESTED THERAPEUTICS, INC. (US) 2024-01-11 — — WO disclosed
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