SCHEMBL28877290

SCHEMBL28877290

Cc1nn(Cc2ccccc2)c(N)c1N.Cn1nc(C(C)(C)C)c(N)c1N

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
GAA P10253 5/20 0.51
POLB P06746 3/20 0.51
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.44
GFER P55789 1/20 0.41
SLC2A1 P11166 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37

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
SCHEMBL33942 0.84 KDM4E (0.75) KDM4EGAAPOLBTSHRCYP1A2
Hydrochloric Acid SCHEMBL7110274 0.82 KDM4E (0.73) KDM4EGAAPOLBTSHRCYP1A2
SCHEMBL27640722 0.72 KDM4E (0.57) KDM4EGAAPOLBTSHRCYP1A2
SCHEMBL10186934 0.72 KDM4E (1.00) KDM4EGAAPOLBTSHRCYP1A2
SCHEMBL1801043 0.70 GAA (0.76) KDM4EGAAPOLBTSHRCYP1A2
SCHEMBL5739917 0.68 KDM4E (0.69) KDM4EGAAPOLBTSHRCYP1A2
SCHEMBL7108739 0.66 POLB (0.60) KDM4EGAAPOLBTSHRCYP1A2
SCHEMBL20551418 0.66 MAPK1 (0.73) KDM4EGAAPOLBTSHRCYP1A2
SCHEMBL7303767 0.66 TSHR (1.00) KDM4EGAAPOLBTSHRCYP1A2
SCHEMBL1075557 0.66 KDM4E (0.51) KDM4EGAAPOLBTSHRCYP1A2

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-115279331-A Composition for imparting color and tone to hair 欧莱雅 2022-11-01 CN disclosed