SCHEMBL28044169

SCHEMBL28044169

NC(=S)Nc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.64
MAPT P10636 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
EGFR P00533 2/20 0.57
MAPK1 P28482 2/20 0.57
PABPC1 P11940 1/20 0.57
RAB9A P51151 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
RAD52 P43351 2/20 0.49
GAA P10253 2/20 0.49
DNMT1 P26358 1/20 0.49
SMARCA2 P51531 1/20 0.49
CYP1A2 P05177 2/20 0.49
HSD17B10 Q99714 1/20 0.49
ADORA2A P29274 1/20 0.49

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
SCHEMBL5560042 0.83 MAOA (0.64) MAOAMAPTL3MBTL1SMN1; SMN2EGFR
SCHEMBL4503147 0.79 L3MBTL1 (0.53) MAOAMAPTL3MBTL1SMN1; SMN2MAPK1
SCHEMBL2601918 0.78 MAOA (1.00) MAOAMAPTL3MBTL1SMN1; SMN2EGFR
SCHEMBL3087928 0.77 MAPK1 (0.67) MAOAMAPTL3MBTL1SMN1; SMN2EGFR
SCHEMBL7144984 0.77 MAPT (0.67) MAOAMAPTL3MBTL1SMN1; SMN2EGFR
SCHEMBL20271919 0.77 MAOA (0.69) MAOAMAPTL3MBTL1SMN1; SMN2EGFR
SCHEMBL11742788 0.77 MAOA (0.73) MAOAMAPTL3MBTL1SMN1; SMN2EGFR
SCHEMBL5563589 0.77 MAOA (0.55) MAOAMAPTL3MBTL1SMN1; SMN2EGFR
SCHEMBL12960466 0.77 MAOA (0.69) MAOAMAPTL3MBTL1SMN1; SMN2EGFR
SCHEMBL29438168 0.76 MAPT (0.71) MAOAMAPTL3MBTL1SMN1; SMN2EGFR

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-105481742-B One class has anti-leukocythemia liveness and water miscible anthraquinone thiourea and preparation method thereof 福建医科大学附属协和医院 2017-03-29 CN claimed
CN-105481742-A Anthraquinonyl thioureas with anti-leukemia activity and water solubility, and preparation method thereof FUJIAN MEDICAL UNIV UNION HOSPITAL 2016-04-13 CN claimed
CN-105481742-B One class has anti-leukocythemia liveness and water miscible anthraquinone thiourea and preparation method thereof 福建医科大学附属协和医院 2017-03-29 CN disclosed
CN-105481742-B One class has anti-leukocythemia liveness and water miscible anthraquinone thiourea and preparation method thereof 福建医科大学附属协和医院 2017-03-29 CN disclosed
CN-105481742-B One class has anti-leukocythemia liveness and water miscible anthraquinone thiourea and preparation method thereof 福建医科大学附属协和医院 2017-03-29 CN disclosed
CN-105481742-A Anthraquinonyl thioureas with anti-leukemia activity and water solubility, and preparation method thereof FUJIAN MEDICAL UNIV UNION HOSPITAL 2016-04-13 CN disclosed