SCHEMBL29566965

SCHEMBL29566965

CC(C)c1ccccc1-c1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc(Cl)c1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KDM1A O60341 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ DDX3X O00571 1/20 0.43
▸ FBP1 P09467 1/20 0.43
▸ NFKBIA P25963 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ EDNRA P25101 1/20 0.42

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
SCHEMBL29567037 0.85 POLB (0.42) KMT2AKDM1AALDH1A1L3MBTL1MAPT
SCHEMBL24310681 0.85 POLB (0.42) KMT2AKDM1AALDH1A1L3MBTL1MAPT
SCHEMBL26806595 0.83 LMNA (0.47) LMNAMEN1KMT2AKDM1AALDH1A1
SCHEMBL29566406 0.79 LMNA (0.49) LMNAMEN1KMT2AALDH1A1DDX3X
SCHEMBL26806641 0.79 LMNA (0.49) LMNAMEN1KMT2AALDH1A1DDX3X
SCHEMBL26806638 0.79 LMNA (0.49) LMNAMEN1KMT2AALDH1A1DDX3X
SCHEMBL29566410 0.79 LMNA (0.49) LMNAMEN1KMT2AALDH1A1DDX3X
SCHEMBL29567669 0.76 LMNA (0.45) LMNAMEN1KMT2AALDH1A1DDX3X
SCHEMBL24309372 0.76 HTR1A (0.42) KMT2A
SCHEMBL26868831 0.76 LMNA (0.57) LMNAMEN1KMT2AKDM1AALDH1A1

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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