SCHEMBL7229571

SCHEMBL7229571

O=C(NO)C(CCON1C(=O)c2ccccc2C1=O)CSc1ccc(-c2cccnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.43
MMP3 P08254 4/20 0.43
MMP9 P14780 4/20 0.43
MMP13 P45452 4/20 0.43
MMP1 P03956 1/20 0.41
HDAC8 Q9BY41 5/20 0.38
MMP12 P39900 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TP53 P04637 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL7222940 0.81 ALDH1A1 (0.42) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7230732 0.75 MMP2 (0.66) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7224498 0.75 MMP2 (0.52) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7226543 0.73 GAA (0.45) MMP2MMP9GAASMN1; SMN2
SCHEMBL7225944 0.72 MMP2 (0.43) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7231966 0.65 MMP2 (0.42) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7231569 0.64 MMP2 (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7224275 0.64 MMP2 (0.54) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7223468 0.64 MMP2 (0.69) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7233440 0.62 MMP2 (0.81) MMP2MMP3MMP9MMP13MMP1

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