SCHEMBL11221987

SCHEMBL11221987

O=C1OCCN1c1c(Cl)ccc(O)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
WEE1 P30291 1/20 0.34
PKMYT1 Q99640 1/20 0.34
CMA1 P23946 8/20 0.34
NAAA Q02083 3/20 0.33
KDM1A O60341 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
RCOR1 Q9UKL0 2/20 0.33
F10 P00742 1/20 0.32
GPR55 Q9Y2T6 1/20 0.31

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
SCHEMBL11216231 0.79 CYP3A4 (0.34) CYP3A4MAPK1CMA1NAAAF10
SCHEMBL12362777 0.75 TNKS (0.40) CYP3A4CMA1KDM1AMAOAMAOB
SCHEMBL11216232 0.75 CMA1 (0.36) CMA1NAAAF10GPR55
SCHEMBL12362782 0.75 F10 (0.39) CMA1NAAAKDM1AMAOAMAOB
SCHEMBL11223731 0.71 HSP90AA1 (0.39) CMA1NAAA
SCHEMBL16703518 0.70 MAPT (0.38) CYP3A4CMA1NAAAKDM1AMAOA
SCHEMBL21723494 0.69 SLC6A2 (0.48) CMA1
SCHEMBL14899249 0.67 GAA (0.42) NAAA
SCHEMBL10364106 0.67 ACHE (0.36) CMA1F10
SCHEMBL13167913 0.66 HSD11B1 (0.47) CMA1NAAAKDM1AMAOAMAOB

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-0023257-B1 Dichloro-hydroxyethylamino phenols, process for their production, their use and hair dyeing compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1982-06-30 EP disclosed
EP-0023257-A1 Dichloro-hydroxyethylamino phenols, process for their production, their use and hair dyeing compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-02-04 EP disclosed