SCHEMBL6472270

SCHEMBL6472270

COc1cc(CN(CCc2ccccc2)C(N)=S)ccc1OCCN

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
BLM P54132 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
SIGMAR1 Q99720 2/20 0.49
EBP Q15125 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
RAF1 P04049 1/20 0.46
MAP2K1 Q02750 1/20 0.46

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
SCHEMBL6471647 0.90 MEN1 (0.44) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL6470927 0.90 ALDH1A1 (0.46) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL6469665 0.89 MEN1 (0.43) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL6469945 0.85 HTR2A (0.45) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL6470088 0.83 L3MBTL1 (0.52) L3MBTL1
SCHEMBL6470082 0.82 ALDH1A1 (0.42) MEN1KMT2AKDM4E
SCHEMBL6470064 0.81 ALDH1A1 (0.43) MEN1KMT2AKDM4E
SCHEMBL6470333 0.81 MEN1 (0.46) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL6470393 0.79 ALDH1A1 (0.42) MEN1KMT2A
SCHEMBL6471665 0.79 ALDH1A1 (0.42) MEN1KMT2AKDM4E

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
US-20050031717-A1 Using capsaicin receptors; complexing VIRGINIA COMMONWEALTH UNIVERSITY 2005-02-10 US disclosed
WO-2005006881-A2 SALT TASTE MODIFICATION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2005-01-27 WO disclosed