SCHEMBL28211595

SCHEMBL28211595

CCNCCN(CC)C(C)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL19102079 0.82 CYP2C19 (0.36) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL16188753 0.80 PRMT3 (0.39)
SCHEMBL17866347 0.78
SCHEMBL18659697 0.78 CYP2C19 (0.33) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL11492199 0.78
Diethylamine SCHEMBL4738807 0.77 TP53 (0.38) KDM4E
SCHEMBL20959866 0.77 CYP2C19 (0.32) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL5616283 0.76 CYP2C19 (0.35) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL1285192 0.74
Hydroxyamine SCHEMBL16774695 0.73 TSHR (0.44) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107805237-A Compound, the photosensitive polymer combination and colored filter for including it 三星SDI株式会社 2018-03-16 CN disclosed