SCHEMBL6887183

SCHEMBL6887183

O=C(O)CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2O)SC1=S

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.75
MEN1 O00255 1/20 0.75
APAF1 O14727 1/20 0.66
ADAMTS5 Q9UNA0 1/20 0.66
POLB P06746 2/20 0.65
PPARG P37231 2/20 0.64
AKR1B1 P15121 9/20 0.62
PTPN1 P18031 6/20 0.62
MMP3 P08254 2/20 0.61
MMP13 P45452 2/20 0.61
GFER P55789 1/20 0.60
PTPN2 P17706 2/20 0.60
CISD1 Q9NZ45 2/20 0.59
MAOA P21397 1/20 0.59
TAS2R14 Q9NYV8 1/20 0.59
PSMD14 O00487 1/20 0.58
PLEC Q15149 1/20 0.58

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
SCHEMBL6887184 1.00 KMT2A (0.75) KMT2AMEN1APAF1ADAMTS5POLB
SCHEMBL7401104 0.91 KMT2A (0.73) KMT2AMEN1APAF1ADAMTS5POLB
SCHEMBL7172539 0.90 KMT2A (0.75) KMT2AMEN1APAF1ADAMTS5POLB
SCHEMBL7172537 0.90 KMT2A (0.75) KMT2AMEN1APAF1ADAMTS5POLB
SCHEMBL6879197 0.86 AKR1B1 (0.81) KMT2AMEN1APAF1ADAMTS5POLB
SCHEMBL6879199 0.86 AKR1B1 (0.81) KMT2AMEN1APAF1ADAMTS5POLB
SCHEMBL7149853 0.86 POLB (0.81) KMT2AMEN1APAF1ADAMTS5POLB
SCHEMBL12008737 0.85 KMT2A (1.00) KMT2AMEN1APAF1ADAMTS5POLB
SCHEMBL7150753 0.85 POLB (0.82) KMT2AMEN1APAF1ADAMTS5POLB
SCHEMBL12008577 0.85 PPARG (0.67) KMT2AMEN1APAF1ADAMTS5PPARG

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
US-6673816-B1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders Esswein, Angelika (DE) 2004-01-06 US disclosed
EP-1117655-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS Esswein, Angelika (DE) 2001-07-25 EP disclosed
WO-2000018747-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed