SCHEMBL7230604

SCHEMBL7230604

O=C(NO)C(CCN1C(=O)c2cc3ccccc3cc2C1=O)CSCCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 15/20 0.49
MMP2 P08253 9/20 0.49
MMP1 P03956 12/20 0.48
MMP3 P08254 10/20 0.48
MMP13 P45452 6/20 0.48
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL7222497 0.76 MMP2 (0.64) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7231126 0.76 MMP2 (0.75) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7230732 0.69 MMP2 (0.66) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7233389 0.69 MMP2 (0.70) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7224278 0.66 MMP2 (0.61) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7224208 0.66 MMP2 (0.86) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7231531 0.65 MMP2 (0.59) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7229433 0.65 MMP2 (0.62) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7224271 0.65 MMP2 (0.67) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7231013 0.65 MMP2 (0.51) MMP9MMP2MMP1MMP3MMP13

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