SCHEMBL28022583

SCHEMBL28022583

C[N+](C)(C)CCCNC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
LMNA P02545 3/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
TSHR P16473 2/20 0.40
HTR1A P08908 1/20 0.40
CHRNB2 P17787 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
APEX1 P27695 3/20 0.38
KDM4E B2RXH2 3/20 0.38
NFKB1 P19838 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PMP22 Q01453 2/20 0.38

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
SCHEMBL13521229 0.92 ACHE (0.38) ACHELMNACHRM2CHRM4CHRM5
SCHEMBL13521225 0.90 MEN1 (0.41) ACHELMNACHRM2CHRM4CHRM5
SCHEMBL13521246 0.86 MEN1 (0.37) ACHELMNACHRM2CHRM4CHRM5
SCHEMBL13521144 0.85 ALDH1A1 (0.36) ACHELMNACHRM2CHRM4CHRM5
SCHEMBL13521242 0.83 CBLB (0.39) ACHEMEN1KMT2AKDM4EBBOX1
SCHEMBL13521141 0.82 MEN1 (0.37) ACHELMNATSHRMEN1KMT2A
SCHEMBL9891657 0.81 EPHX1 (0.50) ACHELMNATSHRMEN1KMT2A
SCHEMBL8763339 0.79 KDM4E (0.61) ACHELMNACHRM2CHRM4CHRM5
SCHEMBL20145974 0.78 TSHR (0.37) LMNATSHRKMT2AAPEX1KDM4E
SCHEMBL13521145 0.78 MEN1 (0.33) ACHELMNATSHRMEN1KMT2A

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
CN-104884552-A ONE -COMPONENT, CURABLE COATING COMPOSITION, PROCESSES FOR MAKING AND USING THEM, AND COATINGS AND ARTICLES PREPARED WITH THEM BASF COATINGS GMBH 2015-09-02 CN disclosed