SCHEMBL7232017

SCHEMBL7232017

O=C(O)C(CCn1nnc2ccccc2c1=O)C(S)c1ccc(-c2ccsc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.47
MMP3 P08254 5/20 0.47
MMP9 P14780 5/20 0.47
MMP13 P45452 5/20 0.47
MMP1 P03956 4/20 0.47
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
GPR139 Q6DWJ6 7/20 0.43
NPSR1 Q6W5P4 2/20 0.42

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
Trifluoroacetic Acid SCHEMBL7224204 0.79 MMP2 (0.45) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7232020 0.79 MMP2 (0.63) MMP2MMP3MMP9MMP13MMP1
SCHEMBL4216415 0.73 GPR139 (0.57) MMP2MMP3MMP9MMP13MMP1
SCHEMBL1841540 0.73 GPR139 (0.57) MMP2MMP3MMP9MMP13MMP1
SCHEMBL379512 0.73 GPR139 (0.57) MMP2MMP3MMP9MMP13MMP1
SCHEMBL18787411 0.73 KMT2A (0.67) MMP2MMP3MMP9MMP13MMP1
SCHEMBL379424 0.70 GPR139 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL1843935 0.70 GPR139 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL5514590 0.70 GPR139 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL379712 0.70 GPR139 (0.53) 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