SCHEMBL6470064

SCHEMBL6470064

COc1cc(CN(Cc2ccc(I)cc2)C(N)=S)ccc1OCCN

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6471665 0.86 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL6470393 0.86 ALDH1A1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL6470110 0.83 KDM4E (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL6472270 0.81 MEN1 (0.56) MEN1KMT2AKDM4E
SCHEMBL6470927 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6471647 0.80 MEN1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL6469665 0.78 MEN1 (0.43) MEN1KMT2AKDM4EATM
SCHEMBL6470082 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL6469945 0.75 HTR2A (0.45) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL9321693 0.74 THRA (0.43)

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