SCHEMBL29566755

SCHEMBL29566755

CC(C)c1ccccc1-c1cc(OCC(C)(C)CO)nc(NS(=O)(=O)c2cccc(N)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.36
▸ NUDT1 P36639 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ PIK3C2B O00750 1/20 0.35
▸ PIK3C2G O75747 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ SLC40A1 Q9NP59 1/20 0.33
▸ ALOX5AP P20292 3/20 0.33
▸ FEN1 P39748 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ PTGES2 Q9H7Z7 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL24309523 1.00 POLB (0.36) POLBNUDT1MAPTPIK3C2BPIK3C2G
SCHEMBL26806787 0.89 PTGS1 (0.40) POLBMAPTPIK3C2BPIK3C2GSMN1; SMN2
SCHEMBL26806784 0.88 POLB (0.41) POLBMAPTPIK3C2BPIK3C2GSMN1; SMN2
SCHEMBL26806794 0.87 POLB (0.38) POLBMAPTPIK3C2BPIK3C2GSMN1; SMN2
SCHEMBL26806791 0.86 POLB (0.36) POLBMAPTPIK3C2BPIK3C2GSMN1; SMN2
SCHEMBL26806783 0.84 POLB (0.41) POLBMAPTPIK3C2BPIK3C2GSMN1; SMN2
SCHEMBL26808381 0.83 HTR1A (0.41) SMN1; SMN2TSHR
SCHEMBL29566529 0.83 HTR1A (0.41) SMN1; SMN2TSHR
SCHEMBL26806788 0.83 LMNA (0.37) POLBMAPTPIK3C2BPIK3C2GSMN1; SMN2
SCHEMBL26806726 0.83 POLB (0.43) POLBMAPTPIK3C2BPIK3C2GSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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