SCHEMBL7785147

SCHEMBL7785147

O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccccc1F.O=C(O)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 5/20 0.47
LMNA P02545 4/20 0.47
AR P10275 3/20 0.47
CYP3A4 P08684 2/20 0.47
CES2 O00748 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
CYP2C9 P11712 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
SCHEMBL6819245 0.88 MAPT (0.61) MEN1KMT2ATDP1HTTMAPT
SCHEMBL7718040 0.85 KMT2A (0.67) MEN1KMT2AHTTNPSR1MAPT
SCHEMBL7783888 0.81 MAPT (0.61) MEN1KMT2ATDP1HTTMAPT
SCHEMBL21282650 0.77 KCNMA1 (0.61) MEN1KMT2AHTTNPSR1MAPT
SCHEMBL3529901 0.76 LMNA (0.64) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL8855777 0.75 AR (0.57) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL31583073 0.75 P2RX1 (0.66) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL5668773 0.75 P2RX1 (0.66) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL7078679 0.74 FADS1 (0.55) MEN1KMT2ATDP1HTTNPSR1
SCHEMBL2941791 0.74 HTT (0.61) MEN1KMT2ATDP1HTTMAPT

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