SCHEMBL10823219

SCHEMBL10823219

CCOCCNC(c1ccccc1)C(Cl)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.40
SRC P12931 1/20 0.37
KDM4E B2RXH2 3/20 0.36
NSD2 O96028 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL14288495 0.78 RAB9A (0.61) MEN1KMT2ACYP3A4HTTSMN1; SMN2
SCHEMBL9740565 0.76 SMN1; SMN2 (0.50) MEN1KMT2ACYP3A4HTTSMN1; SMN2
SCHEMBL9729078 0.72 ALDH1A1 (0.47) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL11211010 0.69 HDAC3 (0.48) MEN1KMT2ACYP1A2CYP3A4GAA
SCHEMBL6202712 0.69 SMN1; SMN2 (0.49) MEN1KMT2ACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL11113439 0.68 LMNA (0.52) MEN1KMT2ACYP1A2CYP3A4GAA
SCHEMBL11211662 0.67 SIGMAR1 (0.48) MEN1KMT2ACYP1A2CYP3A4GAA
SCHEMBL11745430 0.66 HRH1 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8793685 0.66 SIGMAR1 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6435556 0.66 SMN1; SMN2 (0.71) CYP3A4CYP2D6CYP2C19HTTSMN1; 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
JP-61106543-A None JP disclosed
JP-S61106543-A N-SUBSTITUTED AMINE TOKUYAMA SODA CO LTD 1986-05-24 JP disclosed