SCHEMBL7708405

SCHEMBL7708405

N#CC=Cc1ccc(Cl)cn1.N#CC=Cc1ccc(Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.46
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
BACE1 P56817 2/20 0.33
PKM P14618 1/20 0.33
GRM5 P41594 1/20 0.33
FDPS P14324 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PLAU P00749 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
XPO1 O14980 1/20 0.32

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
SCHEMBL7708404 1.00 NFE2L2 (0.46) NFE2L2KDM4ELMNAGAAMAPT
SCHEMBL7428144 1.00 NFE2L2 (0.46) NFE2L2KDM4ELMNAGAAMAPT
SCHEMBL7428146 1.00 NFE2L2 (0.46) NFE2L2KDM4ELMNAGAAMAPT
SCHEMBL30570847 0.76 CTH (0.36) KDM4EFDPSPLAUADRA2AADRA2B
SCHEMBL33532490 0.76 CCR1 (0.41) KDM4EMAPTGRM5FDPSPLAU
SCHEMBL74726 0.72 NFE2L2 (0.50) NFE2L2BACE1L3MBTL1PLAUADRA2A
SCHEMBL74727 0.72 NFE2L2 (0.50) NFE2L2BACE1L3MBTL1PLAUADRA2A
SCHEMBL74725 0.72 NFE2L2 (0.50) NFE2L2BACE1L3MBTL1PLAUADRA2A
SCHEMBL25023811 0.72 ALDH1A1 (0.35) KDM4ELMNAGAAMAPTL3MBTL1
SCHEMBL7434812 0.72 TUBB4A (0.50) NFE2L2KDM4EMAPTTSHRHTT

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
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed