SCHEMBL5408419

SCHEMBL5408419

C=CCS(=O)(=O)c1ccccc1-c1ncco1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
EDNRB P24530 8/20 0.38
EDNRA P25101 8/20 0.38
BRD4 O60885 1/20 0.38
HPGD P15428 3/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRA1A P35348 3/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1B P35368 1/20 0.36
HPGDS O60760 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 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
SCHEMBL6026444 0.76 BRD4 (0.43) EDNRBEDNRABRD4ADRA1AADRA1D
SCHEMBL6524073 0.76 RAB9A (0.48) ALDH1A1KDM4EEDNRBEDNRABRD4
SCHEMBL10849784 0.75 BRD4 (0.42) EDNRBEDNRABRD4ADRA1AADRA1D
SCHEMBL5408423 0.74 LTA4H (0.41) ALDH1A1KDM4EEDNRBEDNRAMAPT
SCHEMBL3476661 0.72 ALDH1A1 (0.46) ALDH1A1KDM4EEDNRBEDNRAHPGD
SCHEMBL1919495 0.71 HPGDS (0.52) EDNRBEDNRABRD4ADRA1AADRA1D
SCHEMBL7408116 0.71 BRD4 (0.41) EDNRBEDNRABRD4ADRA1AADRA1D
SCHEMBL7575704 0.71 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL1205033 0.69 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL27392958 0.69 BRD4 (0.42) ALDH1A1EDNRBEDNRABRD4ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007129169-A2 COX- II INHIBITORS FOR IMPROVING REPRODUCTIVE SUCCESS IN A FEMALE ANIMAL PFIZER LIMITED (GB) 2007-11-15 WO disclosed
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP disclosed
US-6090834-A ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS G.D. SEARLE & CO. (US) 2000-07-18 US disclosed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO disclosed