SCHEMBL11286616

SCHEMBL11286616

O=C(CBr)c1nc(Cl)c(Cl)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.36
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PTPRB P23467 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL11280815 0.83 GSK3B (0.33) GSK3BKDM4ECYP3A4CYP2C9PTPRB
SCHEMBL2824127 0.76 KDM4E (0.53) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
Water SCHEMBL11160916 0.74 KDM4E (0.52) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
SCHEMBL11283559 0.74 KDM4E (0.34) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
SCHEMBL11184996 0.74 SCN9A (0.38) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
SCHEMBL11165939 0.73 EGLN1 (0.36) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
SCHEMBL11283253 0.71 KDM4E (0.32) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
SCHEMBL11276440 0.71 KDM4E (0.32) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
SCHEMBL11161094 0.69 ALOX15 (0.44) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
SCHEMBL11389233 0.69 ALDH1A1 (0.38) ALDH1A1MAPTKMT2A

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-0013905-B1 4,5-DICHLORO-IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS HERBICIDES BAYER AG (DE) 1982-05-05 EP disclosed
EP-0013905-A1 4,5-Dichloro-imidazole derivatives, their preparation and their application as herbicides BAYER AG (DE) 1980-08-06 EP disclosed