SCHEMBL2920125

SCHEMBL2920125

O=S1(=O)c2ccccc2C=Cc2ccc(CO)cc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.56
GPR3 P46089 1/20 0.39
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN4 P29074 1/20 0.35
PTPN9 P43378 1/20 0.35
PTPN11 Q06124 1/20 0.35
RXFP1 Q9HBX9 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TTR P02766 1/20 0.33
NOX1 Q9Y5S8 1/20 0.32

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
SCHEMBL5114147 0.90 CHEK1 (0.53) CHEK1GPR3TP53LMNARXFP1
SCHEMBL11104184 0.83 CHEK1 (0.42) CHEK1PTPN2PTPN1PTPN4PTPN9
SCHEMBL11402053 0.81 CHEK1 (0.41) CHEK1
SCHEMBL9680854 0.81 CHEK1 (0.41) CHEK1
SCHEMBL11098855 0.81 CHEK1 (0.41) CHEK1TP53LMNATTR
SCHEMBL11102892 0.79 CHEK1 (0.43) CHEK1GPR3PTPN2PTPN1PTPN4
SCHEMBL11096171 0.79 CHEK1 (0.40) CHEK1
SCHEMBL11104253 0.78 CHEK1 (0.39) CHEK1TP53LMNAKMT2A
SCHEMBL11036902 0.78 GPR3 (0.55) GPR3TP53LMNAPTPN1RXFP1
SCHEMBL11099356 0.77 MEN1 (0.47) CHEK1TSHRMEN1KMT2ATTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231656-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS Amgen Inc. (US) 2010-09-29 EP claimed
WO-2009085185-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-07-09 WO claimed
EP-1242068-A4 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED INC (US) 2007-04-25 EP claimed
US-20030050305-A1 Thromboxane inhibitors, compositions and methods of use NITROMED, INC. 2003-03-13 US claimed
EP-1242068-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION Nitromed, Inc. (US) 2002-09-25 EP claimed
WO-2001089519-A1 THROMBOXANE INHIBITORS, COMPOSITIONS AND METHODS OF USE RELATED APPLICATIONS NITROMED, INC. (US) 2001-11-29 WO claimed
WO-2001032167-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED, INC. (US) 2001-05-10 WO claimed
EP-0463636-A2 Cardiovascular composition MERCK FROSST CANADA INC. (CA) 1992-01-02 EP claimed
US-4876246-A Benzo[a]phenothiazines and hydro-derivatives for inhibiting leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1989-10-24 US claimed
EP-0300675-A2 Method for the improvement of cyclosporine therapy MERCK FROSST CANADA INC. (CA) 1989-01-25 EP claimed
EP-0166257-A2 Cardiovascular composition MERCK FROSST CANADA INC. (CA) 1986-01-02 EP claimed
US-4558037-A A DIBENZOTHIEPIN COMPOUND AND AN ANGIOTENSIN CONVERTING ENZYME INHIBITOR MERCK & CO., INC. (US) 1985-12-10 US claimed
EP-0029587-A1 3-Hydroxymethyldibenzo(b,f)thiepins and dibenzo(b,f)thiepin-3-carboxaldehydes as prostaglandin antagonists, process for their preparation and pharmaceutical compositions MERCK SHARP & DOHME (I.A.) CORP. (US) 1981-06-03 EP claimed
US-4237160-A 3-Hydroxymethyldibenzo[b,f]thiepins as prostaglandin antagonists MERCK SHARP & DOHME (I.A.) CORP. (US) 1980-12-02 US claimed
JP-1061425-A None JP disclosed
US-9834820-B2 Methods for the treatment and diagnosis of bone mineral density related diseases INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-12-05 US disclosed
EP-2227560-B1 METHODS FOR THE TREATMENT AND DIAGNOSIS OF BONE MINERAL DENSITY RELATED DISEASES INSERM - INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2017-10-18 EP disclosed
EP-0029587-A1 3-Hydroxymethyldibenzo(b,f)thiepins and dibenzo(b,f)thiepin-3-carboxaldehydes as prostaglandin antagonists, process for their preparation and pharmaceutical compositions MERCK SHARP & DOHME (I.A.) CORP. (US) 1981-06-03 EP disclosed
US-4237160-A 3-Hydroxymethyldibenzo[b,f]thiepins as prostaglandin antagonists MERCK SHARP & DOHME (I.A.) CORP. (US) 1980-12-02 US disclosed
JP-S06461425-A 0001-01-01 JP disclosed