SCHEMBL2687905

SCHEMBL2687905

C#Cc1c(C)c2ccc(N(CC)CC)cc2oc1=O.c1cc2cc-2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.58
KDM4E B2RXH2 9/20 0.58
HTT P42858 5/20 0.58
TDP1 Q9NUW8 4/20 0.58
ATM Q13315 6/20 0.56
GLA P06280 6/20 0.56
GAA P10253 2/20 0.56
KLK7 P49862 1/20 0.56
MAPT P10636 7/20 0.55
HPGD P15428 6/20 0.55
L3MBTL1 Q9Y468 5/20 0.55
HIF1A Q16665 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
IGLV6-57 P01721 5/20 0.51
CASP1 P29466 5/20 0.50
CASP7 P55210 5/20 0.50
HSD17B10 Q99714 5/20 0.50
LMNA P02545 2/20 0.50
THRB P10828 1/20 0.50
EP300 Q09472 1/20 0.50

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
SCHEMBL3751421 0.91 ALDH1A1 (0.55) ALDH1A1KDM4EHTTTDP1ATM
SCHEMBL13869289 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EHTTTDP1ATM
SCHEMBL11296750 0.79 ALDH1A1 (0.78) ALDH1A1KDM4EHTTTDP1ATM
SCHEMBL2687898 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EHTTTDP1ATM
SCHEMBL2689231 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EHTTTDP1ATM
SCHEMBL5590828 0.77 ALDH1A1 (0.78) ALDH1A1KDM4EHTTTDP1ATM
SCHEMBL12651890 0.75 ALDH1A1 (0.72) ALDH1A1KDM4EHTTTDP1ATM
SCHEMBL13869309 0.74 ALDH1A1 (0.86) ALDH1A1KDM4EHTTTDP1ATM
SCHEMBL24861952 0.74 ALDH1A1 (0.71) ALDH1A1KDM4EHTTTDP1ATM
SCHEMBL700677 0.74 ALDH1A1 (0.73) ALDH1A1KDM4EHTTTDP1ATM

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-8168796-B2 Fluorescent agent having ethynyl group NIPPON CHEMICAL WORKS CO., LTD. (JP) 2012-05-01 US disclosed