SCHEMBL7973043

SCHEMBL7973043

O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
CYP19A1 P11511 1/20 0.62
ALDH1A1 P00352 4/20 0.61
GAA P10253 3/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
GRIN1 Q05586 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
MAPT P10636 1/20 0.52
SLC12A2 P55011 1/20 0.52
SLC12A5 Q9H2X9 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL4504076 0.85 CYP19A1 (0.83) LMNACYP19A1ALDH1A1GAAMAPT
SCHEMBL6478175 0.81 LMNA (0.62) LMNACYP19A1ALDH1A1GAAHPGD
SCHEMBL28272081 0.80 LMNA (0.65) LMNACYP19A1ALDH1A1GAAHPGD
SCHEMBL7970997 0.78 CXCR4 (0.69) LMNAALDH1A1HPGDSMN1; SMN2GRIN1
SCHEMBL6476661 0.77 LMNA (0.70) LMNACYP19A1ALDH1A1HPGD
SCHEMBL18052431 0.76 LMNA (0.62) LMNACYP19A1ALDH1A1GAAHPGD
SCHEMBL7827745 0.75 MMP1 (0.62) LMNACYP19A1ALDH1A1GAAHPGD
SCHEMBL18114379 0.75 MMP1 (0.62) LMNACYP19A1ALDH1A1GAAHPGD
SCHEMBL7973291 0.75 OPRK1 (0.65) LMNACYP19A1ALDH1A1GAASMN1; SMN2
SCHEMBL10487816 0.74 CYP19A1 (0.74) LMNACYP19A1ALDH1A1MAPTSLC12A2

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