SCHEMBL7971077

SCHEMBL7971077

COc1ccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)NNc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.53
MMP2 P08253 2/20 0.53
F2 P00734 6/20 0.52
MMP1 P03956 2/20 0.51
MMP13 P45452 1/20 0.51
ADAM17 P78536 1/20 0.51
POLB P06746 1/20 0.51
NPY5R Q15761 1/20 0.50
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
PRSS1 P07477 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.46
RAPGEF3 O95398 1/20 0.46
BMP1 P13497 2/20 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
SCHEMBL7959981 0.91 NPY5R (0.55) MMP9MMP2F2POLBNPY5R
SCHEMBL7971489 0.90 MMP2 (0.59) MMP9MMP2MMP1MMP13POLB
SCHEMBL7971563 0.87 KAT6A (0.53) MMP9MMP2F2MMP1MMP13
SCHEMBL27516345 0.87 MMP2 (0.57) MMP9MMP2MMP1MMP13POLB
SCHEMBL8647491 0.87 MMP2 (0.69) MMP9MMP2F2MMP1MMP13
SCHEMBL8389137 0.87 MMP2 (0.69) MMP9MMP2F2MMP1MMP13
SCHEMBL7970018 0.80 CTSL (0.56) F2KDM4EALDH1A1
SCHEMBL6021666 0.78 CTSS (0.58) MMP9MMP2MMP1MMP13ADAM17
SCHEMBL7970164 0.78 MMP2 (0.62) MMP9MMP2MMP1MMP13POLB
SCHEMBL3088714 0.78 KDM4E (0.58) MMP9MMP2F2MMP1MMP13

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-6271247-B1 BINDING TO NEUROPEPTIDE RECEPTORS ADIR ET COMPAGNIE (FR) 2001-08-07 US disclosed
US-6172108-B1 NEUROPEPTIDE Y RECEPTOR LIGANDS; TREATING PSYCHOLOGICAL, EATING, SLEEP, AND SEXUAL DISORDERS; HYPOTENSIVE, ANXIOLYTIC, ANTIDEPRESSANT, AND ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 2001-01-09 US disclosed
EP-1010691-A2 Hydrazide derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-06-21 EP disclosed