SCHEMBL19954554

SCHEMBL19954554

C/C1=C(/C)CCN(C)C(=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
BRD2 P25440 1/20 0.54
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
PIK3CD O00329 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL17433536 0.81 BRD4 (0.68) BRD4BRD2GAASMN1; SMN2PIK3CD
SCHEMBL17433520 0.81 BRD4 (0.68) BRD4BRD2GAASMN1; SMN2PIK3CD
SCHEMBL5254239 0.79 BRD4 (0.59) BRD4BRD2GAASMN1; SMN2PIK3CD
SCHEMBL9020969 0.78
SCHEMBL158498 0.78
SCHEMBL22885435 0.73 BRD4 (0.52) BRD4BRD2GAASMN1; SMN2PIK3CD
SCHEMBL17433534 0.72 BRD4 (0.56) BRD4BRD2GAASMN1; SMN2PIK3CD
Methylpyrrolidone SCHEMBL8055062 0.70 BRD4 (1.00) BRD4BRD2GAASMN1; SMN2PIK3CD
Methylpyrrolidone SCHEMBL487 0.70
Methylpyrrolidone SCHEMBL1255511 0.70 BRD4 (1.00) BRD4BRD2GAASMN1; SMN2PIK3CD

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
US-9913921-B2 Pretargeting kit for imaging or therapy comprising a trans-cyclooctene dienophile and a diene TAGWORKS PHARMACEUTICALS B.V. (NL) 2018-03-13 US disclosed