SCHEMBL29570892

SCHEMBL29570892

Cc1cccc(C)c1-c1cc(Cl)nc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](CC(C)C)[C@H](O)C3)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.38
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
STS P08842 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SIRT5 Q9NXA8 1/20 0.35
NR1H3 Q13133 4/20 0.34
NR1H2 P55055 3/20 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
SCHEMBL29570779 1.00 TGFBR1 (0.38) TGFBR1LMNAPOLBSMN1; SMN2HTT
SCHEMBL24326155 1.00 TGFBR1 (0.38) TGFBR1LMNAPOLBSMN1; SMN2HTT
SCHEMBL29570927 1.00 TGFBR1 (0.38) TGFBR1LMNAPOLBSMN1; SMN2HTT
SCHEMBL24326241 1.00 TGFBR1 (0.38) TGFBR1LMNAPOLBSMN1; SMN2HTT
SCHEMBL29570573 1.00 TGFBR1 (0.38) TGFBR1LMNAPOLBSMN1; SMN2HTT
SCHEMBL24326388 1.00 TGFBR1 (0.38) TGFBR1LMNAPOLBSMN1; SMN2HTT
SCHEMBL24325793 1.00 TGFBR1 (0.38) TGFBR1LMNAPOLBSMN1; SMN2HTT
SCHEMBL24326087 0.87 TGFBR1 (0.43) TGFBR1LMNAPOLBSMN1; SMN2HTT
SCHEMBL24326268 0.87 TGFBR1 (0.43) TGFBR1LMNAPOLBSMN1; SMN2HTT
SCHEMBL29570536 0.87 TGFBR1 (0.43) TGFBR1LMNAPOLBSMN1; SMN2HTT

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-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed