SCHEMBL6540805

SCHEMBL6540805

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MGLL Q99685 1/20 0.38
TAAR1 Q96RJ0 3/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MMP3 P08254 1/20 0.37
BCL2L1 Q07817 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37

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
SCHEMBL10128591 0.98 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL7477408 0.95 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL13854496 0.93 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL13903639 0.92 RXRA (0.46) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL13903629 0.92 RXRA (0.46) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL6374128 0.92 RXRA (0.46) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL24154799 0.91 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL24154184 0.91 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL13903633 0.90 RXRA (0.45) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL18232204 0.90 RXRA (0.45) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1

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