SCHEMBL6454450

SCHEMBL6454450

Nc1ccc(-c2cccs2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.61
CSNK1A1 P48729 2/20 0.61
CSNK1D P48730 2/20 0.61
CSNK1G1 Q9HCP0 2/20 0.61
MAOA P21397 2/20 0.61
FGR P09769 1/20 0.61
PIM1 P11309 1/20 0.61
DYRK1A Q13627 1/20 0.61
HIPK2 Q9H2X6 1/20 0.61
ADORA1 P30542 1/20 0.55
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 5/20 0.51
POLB P06746 4/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HPGD P15428 3/20 0.51
MCL1 Q07820 2/20 0.51
TDP1 Q9NUW8 2/20 0.51

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
SCHEMBL11528769 0.83 CSNK2A2 (0.59) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL278755 0.80 ADORA2A (0.86) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL29529563 0.80 ADORA2A (0.86) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL29548552 0.80 ADORA2A (0.86) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL3951353 0.80 ADORA2A (0.53) ADORA2AMAOADYRK1AADORA1KMT2A
SCHEMBL7455741 0.79 KCNH2 (0.48) ADORA2APIM1ADORA1KMT2AALDH1A1
SCHEMBL18170821 0.79 CHEK1 (0.46) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL29361319 0.78 ADORA2A (1.00) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL525762 0.78 ADORA2A (1.00) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
Hydrochloric Acid SCHEMBL8643536 0.76 ADORA2A (0.95) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1262605-C Anthraquinone dyes, their preparation and use CIBA SC HOLDING AG (CH) 2006-07-05 CN disclosed
US-6964689-B2 Anthraquinone dyes, preparation thereof and use thereof CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-11-15 US disclosed
CN-1483062-A Anthraquinone dyes, their preparation and use �������⻯ѧƷ�ع����޹�˾ 2004-03-17 CN disclosed
US-20040040099-A1 Anthraquinone dyes, preparation thereof and use thereof CIBA SPECIALTY CHEMICALS CORP. 2004-03-04 US disclosed
EP-1343845-A1 ANTHRAQUINONE DYES, PREPARATION THEREOF AND USE THEREOF Ciba SC Holding AG (CH) 2003-09-17 EP disclosed
WO-2002051941-A1 ANTHRAQUINONE DYES, PREPARATION THEREOF AND USE THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-07-04 WO disclosed