SCHEMBL7783917

SCHEMBL7783917

CN(C)c1ccc(Cl)cc1[N+](=O)[O-].COc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 9/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 2/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
S1PR1 P21453 1/20 0.42

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
SCHEMBL6816455 0.86 MAPT (0.59) MAPTTDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL7573759 0.80 ALDH1A1 (0.54) MAPTALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL7845122 0.80 ALDH1A1 (0.54) MAPTALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL19174849 0.77 MAPT (0.66) MAPTTDP1ALDH1A1MAPK1HPGD
SCHEMBL6811114 0.76 ALDH1A1 (0.62) MAPTALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL29139536 0.76 ALDH1A1 (0.75) MAPTTDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL6815998 0.75 ALDH1A1 (0.64) MAPTALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL3546064 0.73 LMNA (0.75) MAPTTDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL6815368 0.73 ALDH1A1 (0.49) MAPTTDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL6816481 0.73 ALDH1A1 (0.58) MAPTTDP1ALDH1A1MAPK1L3MBTL1

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
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed