SCHEMBL29457779

SCHEMBL29457779

Cc1cccc(C)c1-c1cc(Cl)nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ NFKBIA P25963 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ EDNRA P25101 2/20 0.49
▸ KDM1A O60341 2/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ FBP1 P09467 1/20 0.48
▸ EDNRB P24530 1/20 0.47
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MMP13 P45452 1/20 0.46

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
SCHEMBL24330660 1.00 LMNA (0.55) LMNAALDH1A1KDM4ENFKBIARELA
SCHEMBL29567052 0.86 ALDH1A1 (0.60) LMNAALDH1A1KDM4ENFKBIARELA
SCHEMBL24298639 0.86 ALDH1A1 (0.60) LMNAALDH1A1KDM4ENFKBIARELA
SCHEMBL24298738 0.86 LMNA (0.56) LMNAALDH1A1KDM4ENFKBIARELA
SCHEMBL26807044 0.86 LMNA (0.56) LMNAALDH1A1KDM4ENFKBIARELA
SCHEMBL24330927 0.84 LMNA (0.61) LMNAALDH1A1KDM4ENFKBIARELA
SCHEMBL29702921 0.84 LMNA (0.61) LMNAALDH1A1KDM4ENFKBIARELA
SCHEMBL29566909 0.82 LMNA (0.52) LMNAALDH1A1KDM4ENFKBIARELA
SCHEMBL24309251 0.82 LMNA (0.52) LMNAALDH1A1KDM4ENFKBIARELA
SCHEMBL26822143 0.82 CYTH2 (0.45) ALDH1A1KDM4EMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225446-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
EP-4225762-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
EP-4225763-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
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
WO-2022076618-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076626-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
Send feedback