SCHEMBL7229291

SCHEMBL7229291

O=C(O)C(CCn1nnc2ccccc2c1=O)CSc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.81
MMP3 P08254 11/20 0.81
MMP9 P14780 11/20 0.81
MMP13 P45452 10/20 0.81
MMP1 P03956 7/20 0.60
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP8 P22894 1/20 0.50
GPR139 Q6DWJ6 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7229700 0.90 MMP2 (1.00) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7230785 0.89 MMP2 (0.65) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7222943 0.88 MMP2 (0.64) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7222383 0.87 MMP2 (0.65) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7232020 0.87 MMP2 (0.63) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7229433 0.85 MMP2 (0.62) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6300844 0.84 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7894228 0.83 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7893160 0.83 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
Trifluoroacetic Acid SCHEMBL7224205 0.83 MMP2 (0.58) 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