SCHEMBL3409664

SCHEMBL3409664

COc1ccc(NS(=O)(=O)c2ccccc2)cc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.66
FFAR4 Q5NUL3 1/20 0.62
LMNA P02545 6/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HTT P42858 4/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
THRB P10828 1/20 0.60
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP17A1 P05093 2/20 0.55
KDM1A O60341 1/20 0.54
PGR P06401 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL7534183 0.90 HTR6 (0.56) HTR6FFAR4LMNAMEN1KMT2A
SCHEMBL5622505 0.87 CYP19A1 (0.64) FFAR4LMNAMEN1KMT2AHTT
SCHEMBL399122 0.86 LMNA (0.77) HTR6LMNAMEN1KMT2AHTT
SCHEMBL5281087 0.86 LMNA (0.61) HTR6LMNAMEN1KMT2AHTT
SCHEMBL6678901 0.85 LMNA (0.60) HTR6LMNAMEN1KMT2AHTT
SCHEMBL22095988 0.85 CA12 (0.76) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL7538266 0.84 ALDH1A1 (0.59) HTR6FFAR4LMNAMEN1KMT2A
SCHEMBL9045758 0.82 LMNA (0.63) HTR6LMNAMEN1KMT2AHTT
SCHEMBL7171823 0.82 HTR6 (0.62) HTR6LMNAMEN1KMT2AHTT
SCHEMBL8648029 0.82 PTGS2 (0.59) HTR6LMNAKMT2AHTTALDH1A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022127914-A1 NUCLEOSIDE-THIODIPHOSPHATE-HEPTOSE COMPOUNDS FOR TREATING CONDITIONS ASSOCIATED WITH ALPK1 ACTIVITY PYROTECH (BEIJING) BIOTECHNOLOGY CO., LTD. (CN) 2022-06-23 WO disclosed
WO-2019148410-A1 ANTI-PD-1 ANTIBODIES MERCK SHARP & DOHME CORP. (US) 2019-08-08 WO disclosed
CN-103946223-B 3-cyanaryl-1h-pyrazolo[2.3-b]pyridine derivatives 默克专利股份公司 2017-01-18 CN disclosed
CN-103459420-B For treating compositions and the method for tumor 泽斯塔根股份有限公司 2016-09-28 CN disclosed
CN-104093722-B Furo [3,2-b]-and thieno [3,2-b] pyridine derivate as TBK1 and IKK inhibitor 默克专利股份公司 2016-07-27 CN disclosed
CN-105732617-A 7-azaindole derivatives 默克专利股份公司 2016-07-06 CN disclosed
CN-105712991-A 7-AZAINDOLE DERIVATIVES 默克专利股份公司 2016-06-29 CN disclosed
WO-2016095088-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016095089-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2015051766-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY (ADP-RIBOSE) POLYMERASE INHIBITORS BETTA PHARMACEUTICALS CO., LTD (CN) 2015-04-16 WO disclosed
EP-1747214-A2 DIHYDROBENZOTHIOPHENES MERCK PATENT GmbH (DE) 2007-01-31 EP disclosed
WO-2006133805-A1 TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2006-12-21 WO disclosed
EP-1727820-A2 AMINE DERIVATIVES MERCK PATENT GmbH (DE) 2006-12-06 EP disclosed
EP-1720846-A1 USE OF THIADIAZOLE UREA DERIVATIVES MERCK PATENT GmbH (DE) 2006-11-15 EP disclosed
WO-2006105844-A1 PYRAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2006-10-12 WO disclosed
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005108355-A2 DIHYDROBENZOTHIOPHENES MERCK PATENT GMBH (DE) 2005-11-17 WO disclosed
WO-2005085220-A1 USE OF THIADIAZOLE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2005-09-15 WO disclosed
WO-2005054246-A2 AMINE DERIVATIVES HAVING A TYROSINE-KINASE-INHIBITING EFFECT MERCK PATENT GMBH (DE) 2005-06-16 WO disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO disclosed