SCHEMBL7971489

SCHEMBL7971489

COc1ccc(CC(NS(=O)(=O)c2ccccc2)C(=O)NNc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.59
MMP9 P14780 8/20 0.59
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
MMP1 P03956 4/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
BMP1 P13497 2/20 0.50
POLB P06746 1/20 0.49
MMP3 P08254 4/20 0.48
MMP13 P45452 3/20 0.48
KEAP1 Q14145 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 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
SCHEMBL27516345 0.93 MMP2 (0.57) MMP2MMP9EGFRERBB2MMP1
SCHEMBL7971077 0.90 MMP9 (0.53) MMP2MMP9MMP1TP53MAPT
SCHEMBL7970164 0.88 MMP2 (0.62) MMP2MMP9MMP1MAPTPOLB
SCHEMBL7976158 0.86 MMP9 (0.58) MMP2MMP9EGFRERBB2BMP1
SCHEMBL8119279 0.82 HDAC8 (0.58) MMP2MMP9MMP1MMP3HDAC3
SCHEMBL7381656 0.81 MMP2 (0.75) MMP2MMP9MMP1MAPTBMP1
SCHEMBL7381660 0.81 MMP2 (0.75) MMP2MMP9MMP1MAPTBMP1
SCHEMBL28745570 0.81 MMP2 (0.67) MMP2MMP9MMP1MAPTPOLB
SCHEMBL6081543 0.80 MMP2 (0.86) MMP2MMP9MMP1MAPTPOLB
SCHEMBL22234044 0.80 MMP2 (0.86) MMP2MMP9MMP1MAPTPOLB

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