SCHEMBL6541657

SCHEMBL6541657

CCCCC[N]c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.42
ABCB11 O95342 1/20 0.42
NR3C1 P04150 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALOX15 P16050 1/20 0.42
ADRA2C P18825 1/20 0.42
MAOA P21397 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42
CCR2 P41597 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
KCNA3 P22001 1/20 0.39
KDM4E B2RXH2 4/20 0.39

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
SCHEMBL6540677 0.98 MAPT (0.41) ALDH1A1CYP1A2TDP1HPGDABCB11
SCHEMBL6542194 0.98 MAPT (0.41) ALDH1A1CYP1A2TDP1HPGDABCB11
SCHEMBL6541705 0.98 MAPT (0.41) ALDH1A1CYP1A2TDP1HPGDABCB11
SCHEMBL731901 0.95 CYP1A2 (0.43) ALDH1A1CYP1A2TDP1HPGDABCB11
SCHEMBL6541040 0.90 HPRT1 (0.44) ALDH1A1CYP1A2TDP1HPGDMAOA
SCHEMBL6541156 0.89 ALDH1A1 (0.43) ALDH1A1CYP1A2TDP1HPGDHSD17B10
SCHEMBL6541300 0.89 ALDH1A1 (0.43) ALDH1A1CYP1A2TDP1HPGDHSD17B10
SCHEMBL6542081 0.89 ALDH1A1 (0.43) ALDH1A1CYP1A2TDP1HPGDHSD17B10
SCHEMBL1822754 0.87 ALDH1A1 (0.46) ALDH1A1CYP1A2TDP1HPGDABCB11
SCHEMBL6542113 0.86 MAPT (0.40) ALDH1A1CYP1A2MAOASIGMAR1KCNA3

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