SCHEMBL29567210

SCHEMBL29567210

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PRMT1 Q99873 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CDC25A P30304 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ PIK3C2B O00750 1/20 0.36
▸ PIK3C2G O75747 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL24309269 1.00 POLB (0.43) POLBMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL24309253 0.86 POLB (0.37) POLBMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL26806783 0.85 POLB (0.41) POLBMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL26806784 0.85 POLB (0.41) POLBMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL26806758 0.85 MEN1 (0.39) POLBMAPTSMN1; SMN2TSHRPGR
SCHEMBL26806749 0.85 POLB (0.38) POLBMAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL26806771 0.84 PGR (0.41) POLBMAPTHTR6PGRPIK3C2B
SCHEMBL26806726 0.84 POLB (0.43) POLBMAPTPKMSMN1; SMN2HTR6
SCHEMBL26806595 0.84 LMNA (0.47) MAPTALDH1A1PGRKMT2AKDM1A
SCHEMBL24309272 0.83 SMN1; SMN2 (0.36) POLBMAPTALDH1A1SMN1; SMN2TSHR

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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