SCHEMBL13899997

SCHEMBL13899997

c1ccc(N(c2ccc(N(c3ccccc3)c3ccc4c5cccc6cccc(c7cccc3c74)c65)cc2)c2ccc3c4cccc5cccc(c6cccc2c63)c54)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
CYP1A2 P05177 4/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 3/20 0.42
THRB P10828 1/20 0.42
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
SIGMAR1 Q99720 5/20 0.37
L3MBTL1 Q9Y468 4/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.35

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
SCHEMBL4026976 0.98 ALDH1A1 (0.43) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL13899996 0.95 CYP1A2 (0.38) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL25027743 0.95 SIGMAR1 (0.44) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL12700540 0.92 SIGMAR1 (0.39) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL13084730 0.92 CYP1A2 (0.38) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL14262670 0.92 CYP1A2 (0.40) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL13320952 0.91 CYP1A2 (0.50) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL13900010 0.91 ALDH1A1 (0.41) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL23954350 0.91 SIGMAR1 (0.35) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL2328946 0.91 CYP1A2 (0.40) ALDH1A1CYP1A2HSD17B10HPGDTHRB

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
US-7507485-B2 Electrolytic cell; indium tin anode, hole injection layer containing phthalocyanine dye, passivation cathode; red illumination efficiency LG DISPLAY CO., LTD. (KR) 2009-03-24 US disclosed
US-7507485-B2 Electrolytic cell; indium tin anode, hole injection layer containing phthalocyanine dye, passivation cathode; red illumination efficiency LG DISPLAY CO., LTD. (KR) 2009-03-24 US disclosed