SCHEMBL22561383

SCHEMBL22561383

NC(=O)NCCCC(NC=O)C(=O)Nc1ccc(CNC(=O)C(Cc2ccccc2)NC=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM1A O60341 1/20 0.44
NPY1R P25929 4/20 0.42
NPY4R P50391 2/20 0.42
NPY5R Q15761 1/20 0.42
F2 P00734 2/20 0.40
TMPRSS6 Q8IU80 2/20 0.40
MMP8 P22894 2/20 0.40
GPR142 Q7Z601 1/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
KLKB1 P03952 1/20 0.39
MMP1 P03956 1/20 0.39
FCER2 P06734 1/20 0.39

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
SCHEMBL21782107 0.95 F7 (0.45) F7SMN1; SMN2KDM1ANPY1RNPY4R
SCHEMBL21782126 0.87 F7 (0.42) F7KDM1AMMP8MMP1FCER2
SCHEMBL24240408 0.80 SIRT2 (0.50) KDM1AF2
SCHEMBL21782108 0.79 SPHK1 (0.37)
SCHEMBL23221828 0.79 ADAM10 (0.39) SMN1; SMN2
SCHEMBL24122417 0.78 SMN1; SMN2 (0.46) F7SMN1; SMN2KDM1ANPY1RNPY4R
SCHEMBL25140343 0.78 SIRT5 (0.41)
SCHEMBL24833252 0.77 EPHX1 (0.53) SMN1; SMN2GPR142
SCHEMBL21781914 0.76 SPHK1 (0.42) NPY1RNPY4RNPY5R
SCHEMBL23286133 0.74 SMN1; SMN2 (0.46) SMN1; SMN2BACE1

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
EP-3725798-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-21 EP disclosed