SCHEMBL7224271

SCHEMBL7224271

O=C(NO)C(CCN1C(=O)c2ccncc2C1=O)COc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.67
MMP9 P14780 14/20 0.67
MMP3 P08254 11/20 0.67
MMP13 P45452 11/20 0.67
MMP1 P03956 7/20 0.67
NPSR1 Q6W5P4 2/20 0.42
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
ADAM17 P78536 1/20 0.38
MMP14 P50281 1/20 0.38
HDAC7 Q8WUI4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7233440 0.91 MMP2 (0.81) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7229708 0.81 MMP2 (0.64) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7230599 0.75 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7230149 0.71 MMP2 (0.70) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7222078 0.70 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7229104 0.69 MMP2 (0.79) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7224858 0.65 MMP2 (0.70) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7224224 0.65 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7230604 0.65 MMP9 (0.49) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7231815 0.65 MMP3 (1.00) MMP2MMP9MMP3MMP13MMP1

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-6605604-B1 Tumour necrosis factor alpha release inhibitors; efficiency treatment of cancers, rheumatic diseases, arthritis, ulcers, atherosclerosis, asthma LES LABORATOIRES SERVIER (FR) 2003-08-12 US disclosed
EP-1091937-A1 CARBOXYLIC AND HYDROXAMIC ACID COMPOUNDS INHIBITING METALLOPROTEASES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-04-18 EP disclosed
WO-2000000473-A1 CARBOXYLIC AND HYDROXAMIC ACID COMPOUNDS INHIBITING METALLOPROTEASES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2000-01-06 WO disclosed