SCHEMBL6469665

SCHEMBL6469665

COc1cc(CN(CCc2ccc(C(C)(C)C)cc2)C(N)=S)ccc1OCCN

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
BLM P54132 1/20 0.42
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6470393 0.92 ALDH1A1 (0.42) MEN1KMT2A
SCHEMBL6472270 0.89 MEN1 (0.56) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL6470927 0.88 ALDH1A1 (0.46) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL6471647 0.88 MEN1 (0.44) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL6470110 0.86 KDM4E (0.40) MEN1KMT2AKDM4EATM
SCHEMBL6470985 0.83 PTGER3 (0.40)
SCHEMBL6469945 0.82 HTR2A (0.45) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL6470082 0.79 ALDH1A1 (0.42) MEN1KMT2AKDM4E
SCHEMBL6470064 0.78 ALDH1A1 (0.43) MEN1KMT2AKDM4EATM
SCHEMBL6470333 0.78 MEN1 (0.46) MEN1KMT2AKDM4ECYP1A2CYP3A4

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