SCHEMBL7976158

SCHEMBL7976158

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.58
MMP2 P08253 3/20 0.58
HTT P42858 1/20 0.57
KAT6A Q92794 2/20 0.52
CA2 P00918 1/20 0.51
TACR1 P25103 1/20 0.50
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
BMP1 P13497 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL7971563 0.90 KAT6A (0.53) MMP9MMP2KAT6ACA2POLB
SCHEMBL7960292 0.89 MMP9 (0.62) MMP9MMP2KAT6ATACR1CTSL
SCHEMBL7971489 0.86 MMP2 (0.59) MMP9MMP2EGFRERBB2BMP1
SCHEMBL8118400 0.83 TACR1 (0.61) CA2TACR1HDAC3HDAC4HDAC1
SCHEMBL7381656 0.81 MMP2 (0.75) MMP9MMP2BMP1POLB
SCHEMBL7381660 0.81 MMP2 (0.75) MMP9MMP2BMP1POLB
SCHEMBL27516345 0.79 MMP2 (0.57) MMP9MMP2HTTEGFRERBB2
SCHEMBL7976144 0.79 KAT6A (0.59) MMP9MMP2KAT6ATACR1PLAU
SCHEMBL6081543 0.79 MMP2 (0.86) MMP9MMP2POLB
SCHEMBL22234044 0.79 MMP2 (0.86) MMP9MMP2POLB

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