SCHEMBL29570536

SCHEMBL29570536

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.43
STS P08842 1/20 0.41
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SIRT5 Q9NXA8 1/20 0.38

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
SCHEMBL24326087 1.00 TGFBR1 (0.43) TGFBR1STSLMNAPOLBSMN1; SMN2
SCHEMBL29571019 1.00 TGFBR1 (0.43) TGFBR1STSLMNAPOLBSMN1; SMN2
SCHEMBL24326268 1.00 TGFBR1 (0.43) TGFBR1STSLMNAPOLBSMN1; SMN2
SCHEMBL29570518 0.97 TGFBR1 (0.42) TGFBR1STSLMNAPOLBSMN1; SMN2
SCHEMBL24326411 0.97 TGFBR1 (0.42) TGFBR1STSLMNAPOLBSMN1; SMN2
SCHEMBL24325432 0.93 TGFBR1 (0.38) TGFBR1STSLMNAPOLBSMN1; SMN2
SCHEMBL29571083 0.93 TGFBR1 (0.38) TGFBR1STSLMNAPOLBSMN1; SMN2
SCHEMBL29570987 0.89 LMNA (0.40) LMNAPOLBSMN1; SMN2HTTKMT2A
SCHEMBL24325731 0.89 LMNA (0.40) LMNAPOLBSMN1; SMN2HTTKMT2A
SCHEMBL29570737 0.89 LMNA (0.40) LMNAPOLBSMN1; SMN2HTTKMT2A

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