SCHEMBL30597552

SCHEMBL30597552

COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4cc(C)cc(C)c4s3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ MAPT P10636 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ POLB P06746 1/20 0.58
▸ EPHX2 P34913 2/20 0.57
▸ LMNA P02545 3/20 0.56
▸ HTT P42858 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ PKM P14618 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CLK1 P49759 1/20 0.53

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
SCHEMBL30597496 0.90 EPHX2 (0.60) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL30597543 0.89 MEN1 (0.63) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL30597555 0.87 MAPT (0.68) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL30597493 0.86 MEN1 (0.60) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL30597506 0.86 MEN1 (0.62) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL30597531 0.85 MEN1 (0.61) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL30597554 0.85 MEN1 (0.61) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL30597541 0.85 MEN1 (0.61) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL30597550 0.84 MEN1 (0.59) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL30597500 0.84 L3MBTL1 (0.63) NPC1RAB9AKMT2AMEN1MAPT

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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