SCHEMBL7230732

SCHEMBL7230732

O=C(NO)C(CCN1C(=O)c2ccccc2C1=O)CSc1ccc(-c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.66
MMP9 P14780 12/20 0.66
MMP3 P08254 5/20 0.66
MMP13 P45452 5/20 0.66
MMP1 P03956 3/20 0.66
HDAC7 Q8WUI4 5/20 0.49
HDAC1 Q13547 4/20 0.49
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
ADAM17 P78536 3/20 0.47
MMP14 P50281 2/20 0.47
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL7224275 0.88 MMP2 (0.54) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7231569 0.85 MMP2 (0.53) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7222497 0.84 MMP2 (0.64) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7224278 0.83 MMP2 (0.61) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7223468 0.82 MMP2 (0.69) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7231531 0.82 MMP2 (0.59) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7230600 0.79 MMP2 (0.65) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7231210 0.76 MMP2 (0.46) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7224858 0.76 MMP2 (0.70) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7229571 0.75 MMP2 (0.43) 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