SCHEMBL6301926

SCHEMBL6301926

O=C(O)c1cccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.80
NPC1 O15118 4/20 0.80
RAB9A P51151 3/20 0.80
PKM P14618 1/20 0.80
PAX8 Q06710 1/20 0.80
ALDH1A1 P00352 6/20 0.68
HPGD P15428 3/20 0.68
KDM4E B2RXH2 2/20 0.68
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
GAA P10253 3/20 0.60
KDR P35968 1/20 0.60
POLB P06746 2/20 0.60
TDP1 Q9NUW8 2/20 0.59
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
ALOX12 P18054 1/20 0.59
HSP90AA1 P07900 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
SCHEMBL6297231 0.89 MAPT (0.84) MAPTNPC1RAB9APKMPAX8
SCHEMBL6295855 0.87 MAPT (0.67) MAPTNPC1RAB9APKMPAX8
SCHEMBL30542218 0.84 ALDH1A1 (0.73) MAPTNPC1RAB9APKMALDH1A1
SCHEMBL5078630 0.84 ALDH1A1 (0.79) MAPTNPC1RAB9APKMALDH1A1
SCHEMBL11517562 0.84 CA1 (0.71) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL4446011 0.83 MEN1 (0.76) MAPTNPC1RAB9APKMPAX8
SCHEMBL13279936 0.83 MAPT (0.74) MAPTNPC1RAB9APKMPAX8
Hydrochloric Acid SCHEMBL2106771 0.82 MEN1 (0.74) MAPTNPC1RAB9APKMPAX8
SCHEMBL5452814 0.82 KMT2A (0.64) MAPTNPC1RAB9APKMPAX8
SCHEMBL30542203 0.81 ALDH1A1 (0.65) MAPTNPC1RAB9APKMPAX8

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