SCHEMBL29566992

SCHEMBL29566992

Cc1ccccc1Oc1nc(NS(=O)(=O)c2cccc(N)c2)nc(-c2ccccc2C)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ PIK3C2B O00750 1/20 0.37
▸ PIK3C2G O75747 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL24309374 1.00 POLB (0.39) POLBSMN1; SMN2PIK3C2BPIK3C2GTSHR
SCHEMBL29566908 0.94 POLB (0.37) POLBSMN1; SMN2PIK3C2BPIK3C2GTSHR
SCHEMBL24310682 0.94 POLB (0.37) POLBSMN1; SMN2PIK3C2BPIK3C2GTSHR
SCHEMBL26811511 0.86 POLB (0.40) POLBSMN1; SMN2PIK3C2BPIK3C2GTSHR
SCHEMBL29567299 0.85 POLB (0.42) POLBSMN1; SMN2TSHRSCN9APRMT1
SCHEMBL24309373 0.85 POLB (0.42) POLBSMN1; SMN2TSHRSCN9APRMT1
SCHEMBL29567242 0.83 POLB (0.41) POLBPIK3C2BPIK3C2GTSHRPRMT1
SCHEMBL26651221 0.83 POLB (0.41) POLBPIK3C2BPIK3C2GTSHRPRMT1
SCHEMBL24309376 0.81 HTR1A (0.41) SMN1; SMN2TSHRSCN9AHTR6
SCHEMBL29566724 0.81 HTR1A (0.41) SMN1; SMN2TSHRSCN9AHTR6

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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