SCHEMBL30597528

SCHEMBL30597528

Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(C)cc(C)cc4s3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.73
▸ SMN1; SMN2 Q16637 8/20 0.61
▸ ALDH1A1 P00352 6/20 0.61
▸ LMNA P02545 5/20 0.61
▸ KDM4E B2RXH2 4/20 0.61
▸ L3MBTL1 Q9Y468 4/20 0.61
▸ HTT P42858 3/20 0.61
▸ TDP1 Q9NUW8 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ CLK1 P49759 1/20 0.59
▸ GAA P10253 1/20 0.57
▸ ADORA2A P29274 1/20 0.57
▸ MAPK1 P28482 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ CTDSP1 Q9GZU7 1/20 0.56
▸ HPGD P15428 1/20 0.56

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
SCHEMBL30597532 0.93 MAPT (0.70) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597555 0.92 MAPT (0.68) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597511 0.91 MAPT (0.67) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597508 0.91 MAPT (0.66) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597557 0.90 MAPT (0.65) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597510 0.90 MAPT (0.65) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597501 0.89 MAPT (0.65) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597504 0.88 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597537 0.88 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597507 0.87 MAPT (0.61) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E

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-2023201014-A1 BENZOTHIAZOLE-PHENYLSULFONYL-PIPERIDINE ANALOGS AS ACTIVATORS OF N-ACYLPHOSPHATIDYLETHANOLAMINE HYDROLYZING PHOSPHOLIPASE D VANDERBILT UNIVERSITY (US) 2023-10-19 — — WO disclosed
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