SCHEMBL29469921

SCHEMBL29469921

CC(C)c1ccc(OCC2CC2)c(S(=O)(=O)Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PDE4B Q07343 3/20 0.42
▸ TSHR P16473 3/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALPL P05186 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ CNR2 P34972 2/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL24313728 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PDE4BTSHRKMT2A
SCHEMBL29587949 0.86 RORC (0.46) ALDH1A1SMN1; SMN2PDE4BTSHRKMT2A
SCHEMBL22588071 0.86 RORC (0.46) ALDH1A1SMN1; SMN2PDE4BTSHRKMT2A
SCHEMBL24314213 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRKMT2AALPL
SCHEMBL741127 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRKMT2AALPL
SCHEMBL13678313 0.79 KMO (0.47) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL31371876 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRKMT2AALPL
SCHEMBL16852267 0.77 PDE4B (0.43) ALDH1A1SMN1; SMN2PDE4BPDE4APDE4C
SCHEMBL24314301 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRKMT2AALPL
SCHEMBL24314285 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2PDE4BTSHRPDE4A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229048-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute, Inc. (US) 2023-08-23 — — EP disclosed
EP-4229045-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute Inc. (US) 2023-08-23 — — EP disclosed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 — — WO disclosed
WO-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 — — WO disclosed
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