SCHEMBL6541772

SCHEMBL6541772

C[N]c1cccc2c1ccc1ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.61
ALDH1A1 P00352 6/20 0.52
HSD17B10 Q99714 6/20 0.52
TDP1 Q9NUW8 3/20 0.52
CYP2A6 P11509 3/20 0.52
TSHR P16473 3/20 0.52
CYP1A2 P05177 6/20 0.50
HPGD P15428 4/20 0.50
THRB P10828 1/20 0.50
MAOA P21397 2/20 0.45
ERBB2 P04626 1/20 0.45
FYN P06241 1/20 0.45
ACHE P22303 1/20 0.45
AHR P35869 1/20 0.45
PAX8 Q06710 1/20 0.45
HIF1A Q16665 2/20 0.44
CYP1B1 Q16678 2/20 0.44
CYP3A4 P08684 3/20 0.44
ABCB11 O95342 1/20 0.44
NR3C1 P04150 1/20 0.44

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
SCHEMBL49307 0.89 ALDH1A1 (0.54) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL6059156 0.89 ALDH1A1 (0.54) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL6541278 0.84 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL30525223 0.84 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL2328165 0.84 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL6541655 0.83 HPRT1 (0.61) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL24658988 0.81 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL10957533 0.81 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL6540769 0.80 HPRT1 (0.52) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL17958842 0.79 HPRT1 (0.56) HPRT1ALDH1A1HSD17B10TDP1CYP2A6

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