SCHEMBL21648769

SCHEMBL21648769

CC(C)(C)CC(C)(C)NC(=O)NCN

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.47
POLB P06746 3/20 0.42
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4C Q9H3R0 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
DUT P33316 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL6566836 0.82 EPHX1 (0.57) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL14214964 0.81 EPHX1 (0.49) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL7823787 0.80 EPHX1 (0.52) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL14031260 0.76 EPHX1 (0.52) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL3926071 0.73 POLB (0.47) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL22924932 0.72 EPHX1 (0.50) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL16173925 0.71 EPHX1 (0.47) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL14864526 0.71 EPHX1 (0.51) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL15150920 0.71 EPHX1 (0.47) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL14602844 0.71 EPHX1 (0.41) EPHX1POLBHTTSMN1; SMN2MAPT

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
WO-2020023782-A1 BIFUNCTIONAL COMPOUNDS AS CDK MODULATORS BIOTHERYX, INC. (US) 2020-01-30 WO disclosed