SCHEMBL7786741

SCHEMBL7786741

CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1.Cc1cc(NC(=O)c2ccccc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.65
MAPT P10636 6/20 0.60
RAB9A P51151 5/20 0.60
NPC1 O15118 3/20 0.60
KMT2A Q03164 8/20 0.59
MEN1 O00255 7/20 0.59
LMNA P02545 5/20 0.57
ALDH1A1 P00352 3/20 0.56
HTT P42858 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
GAA P10253 1/20 0.53
HDAC1 Q13547 1/20 0.49
THRB P10828 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL6814818 0.95 RAB9A (0.65) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL3164500 0.84 ALDH1A1 (0.66) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL6814579 0.83 RAB9A (0.61) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL1455315 0.82 MAPT (0.77) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL6811528 0.81 RAB9A (0.64) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL14522042 0.81 RAB9A (0.58) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL6819245 0.80 MAPT (0.61) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL5668091 0.79 MEN1 (0.70) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL2333062 0.78 HTT (0.61) SMN1; SMN2MAPTKMT2AMEN1LMNA
SCHEMBL5666338 0.77 KMT2A (0.78) SMN1; SMN2RAB9AKMT2AMEN1LMNA

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