SCHEMBL9824009

SCHEMBL9824009

CC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.72
EPHX1 P07099 1/20 0.61
EPHX2 P34913 1/20 0.61
LMNA P02545 2/20 0.59
GAA P10253 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
HIF1A Q16665 1/20 0.58
MAPT P10636 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
APEX1 P27695 1/20 0.57
NPC1 O15118 2/20 0.56
HSP90AA1 P07900 1/20 0.56

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
SCHEMBL2913865 0.86 MEN1 (0.61) CYP3A4LMNAGAAALDH1A1MEN1
SCHEMBL12531500 0.86 HPGD (0.68) CYP3A4LMNAL3MBTL1ALDH1A1MEN1
SCHEMBL6023089 0.85 NPC1 (0.71) CYP3A4LMNAGAAALDH1A1MEN1
SCHEMBL7098921 0.84 CYP3A4 (0.69) CYP3A4EPHX1EPHX2LMNAGAA
Propanil SCHEMBL21900164 0.84 CYP3A4 (1.00) CYP3A4EPHX1EPHX2LMNAL3MBTL1
Propanil SCHEMBL26871 0.84 CYP3A4 (1.00) CYP3A4EPHX1EPHX2LMNAL3MBTL1
Propanil SCHEMBL1702271 0.84 CYP3A4 (1.00) CYP3A4EPHX1EPHX2LMNAL3MBTL1
SCHEMBL2552041 0.83 KDM4E (0.57) CYP3A4GAAALDH1A1MEN1KMT2A
SCHEMBL28332744 0.83 MEN1 (0.53) CYP3A4LMNAGAAALDH1A1MEN1
SCHEMBL4386933 0.83 ALDH1A1 (0.53) CYP3A4LMNAGAAALDH1A1MEN1

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
EP-0200134-B1 5,6-Dihydroimidazo[2,1-b]thiazole-2-carboxamide derivatives or salts thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-08-14 EP disclosed
US-4902715-A Fungicidal 4-monohaloacetoacetoacetanilides THE DOW CHEMICAL COMPANY (US) 1990-02-20 US disclosed
US-4736038-A IMMUNOLOGY KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-04-05 US disclosed
EP-0200134-A2 5,6-Dihydroimidazo[2,1-b]thiazole-2-carboxamide derivatives or salts thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1986-11-05 EP disclosed