SCHEMBL7845852

SCHEMBL7845852

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(N)=Nc1cccc(-c2ncccc2[N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
MAPT P10636 6/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
LMNA P02545 2/20 0.33
MET P08581 1/20 0.33
PDE4D Q08499 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33

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
SCHEMBL7842303 0.85 TRPV1 (0.37) TRPV1
SCHEMBL7846907 0.85 TRPV1 (0.35) TRPV1SIGMAR1
SCHEMBL7842304 0.85 TRPV1 (0.37) TRPV1
SCHEMBL7240056 0.83 KDM4E (0.39) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL7240054 0.83 KDM4E (0.39) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL7846658 0.82 ALOX5AP (0.38) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL7240032 0.82 TRPV1 (0.45) TRPV1MAPTMEN1KMT2AKDM4E
SCHEMBL7847203 0.79 BACE1 (0.32)
Hydrochloric Acid SCHEMBL7239444 0.78 PLAU (0.43) TRPV1MAPTMEN1KMT2AKDM4E
SCHEMBL7846734 0.75 CNR1 (0.39) SIGMAR1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 WO disclosed