SCHEMBL30597532

SCHEMBL30597532

Cc1cc(C)c2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)sc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.70
▸ SMN1; SMN2 Q16637 7/20 0.65
▸ ALDH1A1 P00352 8/20 0.58
▸ LMNA P02545 6/20 0.58
▸ KDM4E B2RXH2 5/20 0.58
▸ L3MBTL1 Q9Y468 5/20 0.58
▸ HTT P42858 5/20 0.58
▸ POLB P06746 4/20 0.58
▸ TDP1 Q9NUW8 3/20 0.58
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ CTDSP1 Q9GZU7 1/20 0.57
▸ EPHX2 P34913 1/20 0.56
▸ GAA P10253 1/20 0.55
▸ HPGD P15428 2/20 0.54
▸ ADORA2A P29274 1/20 0.54
▸ CLK1 P49759 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ PPARG P37231 1/20 0.54

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
SCHEMBL30597528 0.93 MAPT (0.73) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597508 0.92 MAPT (0.66) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597537 0.91 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597553 0.90 MAPT (0.62) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597557 0.89 MAPT (0.65) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597555 0.89 MAPT (0.68) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597511 0.88 MAPT (0.67) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597510 0.87 MAPT (0.65) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597514 0.87 MAPT (0.64) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30597501 0.87 MAPT (0.65) 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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