SCHEMBL6301912

SCHEMBL6301912

O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.79
SMN1; SMN2 Q16637 9/20 0.79
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
MAPT P10636 8/20 0.68
LMNA P02545 7/20 0.68
HTT P42858 6/20 0.68
GAA P10253 2/20 0.68
ALOX12 P18054 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
NPC1 O15118 1/20 0.68
HPGD P15428 2/20 0.66
PKM P14618 1/20 0.66
GLA P06280 1/20 0.62
CYP19A1 P11511 1/20 0.62
MAOA P21397 2/20 0.60
MAOB P27338 2/20 0.60
KDM4E B2RXH2 2/20 0.60
TP53 P04637 1/20 0.58

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
SCHEMBL14633632 1.00 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6297678 0.94 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5078630 0.93 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL16786362 0.91 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL30542215 0.91 MEN1 (0.80) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1314972 0.91 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL30542212 0.91 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7025692 0.89 MAPT (0.73) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7033500 0.89 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6815786 0.89 MAPT (0.76) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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-6875764-B1 Urea and thiourea compounds useful for treatment of coccidiosis NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-04-05 US disclosed
EP-1224165-A1 NOVEL COMPOUNDS New Pharma Research Sweden AB (SE) 2002-07-24 EP disclosed
WO-2001030749-A1 NOVEL COMPOUNDS NEW PHARMA RESEARCH SWEDEN AB (SE) 2001-05-03 WO disclosed