SCHEMBL7783264

SCHEMBL7783264

O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)OC(=O)c1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1F)c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPT P10636 5/20 0.54
HTT P42858 3/20 0.54
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 7/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
RORC P51449 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL7783257 0.90 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL7078992 0.84 MEN1 (0.57) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL7783875 0.80 MAPT (0.56) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL7718019 0.80 KMT2A (0.69) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6816902 0.80 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL7783888 0.79 MAPT (0.61) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6811868 0.79 MAPT (0.64) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL7718025 0.78 CYP1A2 (0.68) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6814888 0.77 MAPT (0.72) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL10752115 0.76 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AMAPTHTT

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