SCHEMBL7230994

SCHEMBL7230994

O=C(NO)C(CCn1c(=O)[nH]c2ccccc2c1=O)COc1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 1.00
MMP3 P08254 9/20 1.00
MMP9 P14780 9/20 1.00
MMP13 P45452 9/20 1.00
MMP1 P03956 5/20 1.00
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC18A2 Q05940 1/20 0.46
LMNA P02545 1/20 0.44
MAPK10 P53779 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
MCL1 Q07820 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL7234127 0.90 MMP2 (0.82) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7223434 0.77 MMP2 (1.00) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7231815 0.75 MMP3 (1.00) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7230599 0.72 MMP2 (1.00) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7222078 0.71 MMP2 (1.00) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7224224 0.70 MMP2 (1.00) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7224527 0.70 MMP2 (0.84) MMP2MMP3MMP9MMP13MMP1
SCHEMBL379356 0.69 MMP1 (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7233440 0.69 MMP2 (0.81) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6723991 0.69 MMP2 (0.56) 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 1 patent. 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