SCHEMBL1218784

SCHEMBL1218784

COc1ccc(C=NN(C)C2=NS(=O)(=O)c3ccccc32)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 1.00
KMT2A Q03164 14/20 1.00
TNNI3 P19429 1/20 0.67
TNNT2 P45379 1/20 0.67
TNNC1 P63316 1/20 0.67
ALDH1A1 P00352 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
KDM4E B2RXH2 3/20 0.61
LMNA P02545 2/20 0.61
HTT P42858 1/20 0.58
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
GAA P10253 2/20 0.54
MAPT P10636 1/20 0.54
USP2 O75604 1/20 0.48

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
SCHEMBL12632023 1.00 MEN1 (1.00) MEN1KMT2ATNNI3TNNT2TNNC1
SCHEMBL29351495 1.00 MEN1 (1.00) MEN1KMT2ATNNI3TNNT2TNNC1
SCHEMBL18726125 0.90 MEN1 (0.82) MEN1KMT2ATNNI3TNNT2TNNC1
SCHEMBL18726123 0.90 MEN1 (0.82) MEN1KMT2ATNNI3TNNT2TNNC1
SCHEMBL20529074 0.88 MEN1 (0.78) MEN1KMT2ATNNI3TNNT2TNNC1
SCHEMBL29695409 0.88 MEN1 (0.78) MEN1KMT2ATNNI3TNNT2TNNC1
SCHEMBL20529024 0.83 MEN1 (0.70) MEN1KMT2ATNNI3TNNT2TNNC1
SCHEMBL29695414 0.83 MEN1 (0.70) MEN1KMT2ATNNI3TNNT2TNNC1
SCHEMBL20529015 0.81 MEN1 (0.68) MEN1KMT2ATNNI3TNNT2TNNC1
SCHEMBL20529117 0.81 MEN1 (0.68) MEN1KMT2ATNNI3TNNT2TNNC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362448-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA Inventiva (FR) 2018-08-22 EP disclosed
WO-2017064277-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2017-04-20 WO disclosed
US-7893096-B2 For example, N-methyl-4-[(2-{[2-(1-methylethyl)phenyl]amino}-1 H-benzimidazol-5-yl)oxy]pyridine-2-carboxamide; administering the compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-02-22 US disclosed