SCHEMBL7971563

SCHEMBL7971563

COc1ccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)NNC(=O)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.53
MMP9 P14780 2/20 0.52
MMP2 P08253 1/20 0.52
F2 P00734 2/20 0.52
POLB P06746 1/20 0.50
MMP1 P03956 1/20 0.50
MMP13 P45452 1/20 0.50
ADAM17 P78536 1/20 0.50
PTPN1 P18031 1/20 0.50
PLG P00747 2/20 0.49
F10 P00742 1/20 0.49
HPN P05981 1/20 0.49
NPY5R Q15761 1/20 0.49
CA2 P00918 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.47

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
SCHEMBL7976144 0.91 KAT6A (0.59) KAT6AMMP9MMP2F2POLB
SCHEMBL7976158 0.90 MMP9 (0.58) KAT6AMMP9MMP2POLBCA2
SCHEMBL7971077 0.87 MMP9 (0.53) MMP9MMP2F2POLBMMP1
SCHEMBL8647491 0.86 MMP2 (0.69) MMP9MMP2F2POLBMMP1
SCHEMBL8389137 0.86 MMP2 (0.69) MMP9MMP2F2POLBMMP1
SCHEMBL7960292 0.79 MMP9 (0.62) KAT6AMMP9MMP2MMP1MMP13
SCHEMBL8118400 0.78 TACR1 (0.61) POLBMMP1PTPN1CA2
SCHEMBL6021666 0.78 CTSS (0.58) MMP9MMP2POLBMMP1MMP13
SCHEMBL3088714 0.77 KDM4E (0.58) KAT6AMMP9MMP2F2POLB
SCHEMBL7984105 0.77 BACE1 (0.62) F2POLB

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