SCHEMBL27770391

SCHEMBL27770391

C=CCS(=O)(=O)N1CC(C(=O)N2CCN(c3cc(C)ccc3C)CC2)NC1=O.CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MAPT P10636 6/20 0.44
LMNA P02545 4/20 0.44
USP2 O75604 4/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL27791609 0.86 MAPT (0.42) KMT2AMAPTLMNAUSP2TSHR
SCHEMBL1735734 0.85 MAPT (0.47) KMT2AMAPTLMNAUSP2TSHR
SCHEMBL1735736 0.85 MAPT (0.47) KMT2AMAPTLMNAUSP2TSHR
SCHEMBL1735379 0.80 USP2 (0.49) KMT2AMAPTLMNAUSP2TSHR
SCHEMBL1735375 0.80 USP2 (0.49) KMT2AMAPTLMNAUSP2TSHR
SCHEMBL3626068 0.77 USP2 (0.45) KMT2AMAPTLMNAUSP2TSHR
SCHEMBL1735652 0.75 MAPT (0.50) KMT2AMAPTLMNAUSP2TSHR
SCHEMBL1735650 0.75 MAPT (0.50) KMT2AMAPTLMNAUSP2TSHR
SCHEMBL3623767 0.72 TSHR (0.44) KMT2AMAPTLMNAUSP2TSHR
SCHEMBL1735708 0.71 MAPT (0.49) KMT2AMAPTLMNAUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101641348-B Imidazolidinone derivatives HOFFMANN LA ROCHE 2014-09-10 CN disclosed
CN-101641348-A Imidazolidinone derivatives HOFFMANN LA ROCHE CH 2010-02-03 CN disclosed