SCHEMBL6492858

SCHEMBL6492858

CCN(C)C=Nc1cc(C)c(Oc2cccc(Oc3ccccc3)c2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MAPT P10636 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP2D6 P10635 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL2685505 0.95 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHTTSLC6A2SLC6A4
SCHEMBL2685504 0.95 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHTTSLC6A2SLC6A4
SCHEMBL29355914 0.95 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHTTSLC6A2SLC6A4
SCHEMBL15649015 0.95 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHTTSLC6A2SLC6A4
SCHEMBL3326015 0.88 SLC6A4 (0.34) SMN1; SMN2ALDH1A1LMNAHTTSLC6A2
SCHEMBL3326013 0.88 SLC6A4 (0.34) SMN1; SMN2ALDH1A1LMNAHTTSLC6A2
SCHEMBL2982768 0.86 PTGS1 (0.32) ALOX5PTGS1CYP2D6
SCHEMBL2982765 0.86 PTGS1 (0.32) ALOX5PTGS1CYP2D6
SCHEMBL12710217 0.86 GAA (0.37) KDM4EALDH1A1LMNAHTTMAPT
SCHEMBL4429656 0.86 BCHE (0.34) FFAR1FFAR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6893650-B1 N2-phenylamidine derivatives BAYER CROPSCIENCE GMBH (DE) 2005-05-17 US claimed