SCHEMBL27718656

SCHEMBL27718656

Cc1cccc2ccc(N)c(N)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.54
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAD52 P43351 1/20 0.42
CYP1A2 P05177 4/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ACHE P22303 5/20 0.39
LMNA P02545 1/20 0.38
CYP2A6 P11509 2/20 0.38
BCHE P06276 3/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2A Q12879 3/20 0.38
PIK3CA P42336 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL17065502 0.84 ALDH1A1 (0.50) CD44ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL2799285 0.83 CYP3A4 (0.48) CD44ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL6543972 0.80 CD44 (0.50) CD44ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL31484742 0.79 CD44 (0.54) CD44ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL4083590 0.79 CD44 (0.54) CD44ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL7752251 0.79 ALDH1A1 (0.48) CD44ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL4647758 0.78 CYP1A2 (0.59) ALDH1A1CYP3A4HPGDHSD17B10TSHR
Hydrochloric Acid SCHEMBL28970550 0.77 CYP3A4 (0.54) CD44ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL29463764 0.75 CYP3A4 (0.37) CD44ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL10369590 0.75 CYP3A4 (0.37) CD44ALDH1A1CYP3A4HPGDHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101294005-A Red naphtocyclinon solvent dye and preparation method thereof HAINING MODERN CHEMICAL CO LTD (CN) 2008-10-29 CN claimed
CN-101294005-B Red naphtocyclinon solvent dye and preparation method thereof HAINING MODERN CHEMICAL CO LTD 2011-08-17 CN disclosed
CN-101294005-A Red naphtocyclinon solvent dye and preparation method thereof HAINING MODERN CHEMICAL CO LTD (CN) 2008-10-29 CN disclosed