SCHEMBL6003192

SCHEMBL6003192

C=C[C](Cl)c1ccc(OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
HPGD P15428 3/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
ESR1 P03372 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP2C19 P33261 1/20 0.59
ADRA1A P35348 1/20 0.59
HIF1A Q16665 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TCF4 P15884 1/20 0.55
CTNNB1 P35222 1/20 0.55
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CES2 O00748 1/20 0.48

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
SCHEMBL13618052 0.78 MAPT (0.53) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL11665015 0.78 CES2 (0.52) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL5693740 0.77 CA1 (0.54) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL11139517 0.76 MAPT (0.59) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL6003198 0.75 MAPT (0.53) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL22198795 0.75 CES2 (0.48) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL546672 0.75 F3 (0.59) MAPTHPGDALDH1A1CYP2C19CA1
SCHEMBL28480552 0.75 PRSS1 (0.55) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL17513783 0.75 HPGD (0.59) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
Chlorotrianisene SCHEMBL8225 0.74 HPGD (1.00) MAPTHPGDALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed