SCHEMBL6555296

SCHEMBL6555296

O=C(NNC(=O)c1ccco1)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 1/20 0.53

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
Hydrochloric Acid SCHEMBL28794452 0.99 HTT (0.60) HTTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL20522035 0.86 HTT (0.60) HTTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL28347687 0.79 KMT2A (0.64) HTTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL31497191 0.79 KMT2A (0.64) HTTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2961298 0.77 ALDH1A1 (0.48) MEN1KMT2AKDM4EMAPT
SCHEMBL3981991 0.76 GCGR (0.69) MAPT
SCHEMBL3979045 0.76 GCGR (0.73) SMN1; SMN2
SCHEMBL11654108 0.75 CASP6 (0.67) HTTMEN1KMT2AMAPT
SCHEMBL3978229 0.74 GCGR (0.63)
SCHEMBL3974772 0.73 GCGR (0.53)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP claimed