SCHEMBL8621287

SCHEMBL8621287

CNC(CNCc1cc(C)c(C)cc1OC)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 14/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6557014 0.83 MEN1 (0.73) MEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8620824 0.82 MEN1 (0.71) MEN1KMT2AALDH1A1MAPT
SCHEMBL8620048 0.82 SGPL1 (0.49) SGPL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8621274 0.82 MEN1 (0.52) SGPL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6556838 0.81 SGPL1 (0.48) SGPL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8626711 0.80 MEN1 (0.50) SGPL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6557248 0.70 MEN1 (0.69) MEN1KMT2AKDM4EALDH1A1
SCHEMBL9229921 0.70 MEN1 (0.69) MEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8621357 0.69 MEN1 (0.68) MEN1KMT2AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL8619143 0.69 MEN1 (0.68) MEN1KMT2AKDM4EALDH1A1MAPT

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-0613458-B1 ACYCLIC ETHYLENEDIAMINE DERIVATIVES AS SUBSTANCE P RECEPTOR ANTAGONISTS PFIZER (US) 1998-01-07 EP disclosed
US-5521220-A Acyclic ethylenediamine derivatives PFIZER INC. (US) 1996-05-28 US disclosed