SCHEMBL6471647

SCHEMBL6471647

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL6469945 0.95 HTR2A (0.45) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL6470333 0.91 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL6472270 0.90 MEN1 (0.56) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL6470927 0.89 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL6470082 0.89 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL6469665 0.88 MEN1 (0.43) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL6471940 0.85 MTNR1A (0.47) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL6470101 0.83 TAAR1 (0.48)
SCHEMBL6470905 0.82 CXCR3 (0.49) ALDH1A1
SCHEMBL6517193 0.82 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SMN1; 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