SCHEMBL6470975

SCHEMBL6470975

COc1cc(CN(CCc2ccc(Cl)cc2Cl)C(N)=S)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 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
SCHEMBL6470101 0.88 TAAR1 (0.48) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL6470082 0.85 ALDH1A1 (0.42) GAAMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6470337 0.84 TSHR (0.47) TAAR1TSHRMAPK1
SCHEMBL6469881 0.83 MEN1 (0.50) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL6470088 0.80 L3MBTL1 (0.52)
SCHEMBL6472196 0.79 DUSP3 (0.48) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL29212717 0.77 ALOX5 (0.53)
SCHEMBL6471647 0.72 MEN1 (0.44) GAAMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6470333 0.72 MEN1 (0.46) GAAMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6469945 0.72 HTR2A (0.45) GAAMEN1ALDH1A1KMT2ASMN1; SMN2

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