SCHEMBL6541674

SCHEMBL6541674

c1ccc2c(-c3c([N]c4ccc5ccccc5c4-c4cccc5ccccc45)ccc4ccccc34)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.44
TYMP P19971 1/20 0.44
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 5/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP2A6 P11509 1/20 0.42
CYP1A2 P05177 2/20 0.41
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.41
DHFR P00374 1/20 0.41
HPRT1 P00492 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL28593742 0.88 DNMT1 (0.44) DNMT1TYMPALDH1A1HSD17B10TSHR
SCHEMBL31633718 0.85 DNMT1 (0.46) DNMT1TYMPALDH1A1HSD17B10TSHR
SCHEMBL2291742 0.85 DNMT1 (0.42) DNMT1TYMPALDH1A1HSD17B10TSHR
SCHEMBL6541648 0.81 CES1 (0.42) DNMT1TYMPALDH1A1HSD17B10TSHR
SCHEMBL6540793 0.79 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL27263879 0.78 ALDH1A1 (0.53) DNMT1TYMPALDH1A1HSD17B10TSHR
SCHEMBL29787010 0.77 DNMT1 (0.59) DNMT1TYMPALDH1A1HSD17B10TSHR
SCHEMBL196007 0.77 DNMT1 (0.59) DNMT1TYMPALDH1A1HSD17B10TSHR
SCHEMBL29410608 0.77 DNMT1 (0.59) DNMT1TYMPALDH1A1HSD17B10TSHR
SCHEMBL29407412 0.75 ALDH1A1 (0.50) DNMT1TYMPALDH1A1HSD17B10TSHR

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
EP-1452574-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME TOYO INK MFG. CO., LTD. (JP) 2004-09-01 EP disclosed
US-20040151944-A1 Anode, cathode, light emitting layers TOYO INK MFG. CO., LTD. (JP) 2004-08-05 US disclosed