SCHEMBL27672161

SCHEMBL27672161

CCCn1c(=O)cc[nH]c1=S.CCCn1c(=O)cc[nH]c1=S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
PLK1 P53350 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
LPO P22079 1/20 0.36
PTGS1 P23219 1/20 0.36
KMT2A Q03164 1/20 0.36
CA9 Q16790 1/20 0.36
PDE4A P27815 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL41241 1.00 KDM1A (0.39) KDM1APLK1APOBEC3GTDP1ALDH1A1
Phosphine SCHEMBL27662410 0.98 KDM1A (0.38) KDM1APLK1APOBEC3GTDP1ALDH1A1
SCHEMBL13723726 0.93 KDM1A (0.39) KDM1APLK1APOBEC3GTDP1ALDH1A1
Thiourea SCHEMBL29139740 0.92 KDM1A (0.35) KDM1APLK1APOBEC3GTDP1ALDH1A1
SCHEMBL10616922 0.89 MAPT (0.43) PLK1APOBEC3GTDP1ALDH1A1LMNA
SCHEMBL11581587 0.88 HTT (0.44) PLK1APOBEC3GTDP1ALDH1A1HPGD
Thiouracil SCHEMBL28203909 0.88 TP53 (0.54) KDM1APLK1APOBEC3GTDP1ALDH1A1
Glycine SCHEMBL2322797 0.88 PDE4A (0.35) KDM1APLK1APOBEC3GTDP1ALDH1A1
Imidazole SCHEMBL27283840 0.87 TDP1 (0.39) PLK1APOBEC3GTDP1ALDH1A1HPGD
SCHEMBL8653857 0.86 MAPK10 (0.44) PLK1APOBEC3GALDH1A1HPGDPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1919257-B Application of litsea coreana ethanol extractive in the preparation of medicine for preventing and treating alcohol hepatopathy UNIV ANHUI MEDICAL 2010-05-12 CN disclosed
CN-100528179-C Application of chrysanthemum indicum extract in the preparation of medicine for preventing and curing alcoholic liver disease UNIV ANHUI MEDICAL (CN) 2009-08-19 CN disclosed
CN-101112407-A Application of chrysanthemum indicum extract in the preparation of medicine for preventing and curing alcoholic liver disease UNIV ANHUI MEDICAL (CN) 2008-01-30 CN disclosed
CN-1919257-A Application of litsea coreana ethanol extractive in the preparation of medicine for preventing and treating alcohol hepatopathy UNIV ANHUI MEDICAL (CN) 2007-02-28 CN disclosed