SCHEMBL7783901

SCHEMBL7783901

CCOc1cc(N(C)C)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
MAPT P10636 7/20 0.44
LMNA P02545 4/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR4 O95977 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HCAR3 P49019 1/20 0.39
VCAM1 P19320 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6815368 0.83 ALDH1A1 (0.49) ALDH1A1MAPTLMNAKMT2AHTT
SCHEMBL6370147 0.83 LMNA (0.49) ALDH1A1MAPTLMNAKMT2ANPSR1
SCHEMBL8887345 0.80 LMNA (0.49) ALDH1A1MAPTLMNAKMT2ANPSR1
SCHEMBL5562501 0.79 MAPT (0.59) ALDH1A1MAPTLMNAKMT2ANPSR1
SCHEMBL3259695 0.79 MAPT (0.46) ALDH1A1MAPTLMNAKMT2ANPSR1
SCHEMBL6819520 0.76 LMNA (0.49) ALDH1A1MAPTLMNAKMT2ANPSR1
SCHEMBL9651865 0.76 MAPT (0.55) ALDH1A1MAPTLMNAKMT2ANPSR1
SCHEMBL27248528 0.73 ALDH1A1 (0.49) ALDH1A1MAPTLMNAKMT2ANPSR1
SCHEMBL11611705 0.72 MAPT (0.44) ALDH1A1MAPTLMNAKMT2ANPSR1
SCHEMBL10702301 0.71 MAPT (0.51) ALDH1A1MAPTLMNAKMT2ANPSR1

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