SCHEMBL6470082

SCHEMBL6470082

COc1cc(CN(CCc2ccc(Cl)cc2Cl)C(N)=S)ccc1OCCN

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
F10 P00742 2/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 2/20 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
SCHEMBL6471647 0.89 MEN1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL6470975 0.85 TAAR1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL6469945 0.84 HTR2A (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL6472270 0.82 MEN1 (0.56) MEN1KMT2AKDM4E
SCHEMBL6470927 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6470333 0.80 MEN1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL6469665 0.79 MEN1 (0.43) MEN1KMT2AKDM4E
SCHEMBL9124760 0.77 MEN1 (0.58) ALDH1A1MEN1KMT2A
SCHEMBL6470064 0.76 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL6471940 0.76 MTNR1A (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1

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