SCHEMBL14923274

SCHEMBL14923274

C=C(c1cccc(OC)c1)N1CCC(CN2C(=N)NC(C)(CC(C)C)C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
KDM2B Q8NHM5 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD11B1 P28845 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MGLL Q99685 1/20 0.34
TSHR P16473 1/20 0.34
CCR3 P51677 1/20 0.34

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
SCHEMBL7520594 0.91 LMNA (0.48) LMNAMEN1KMT2AL3MBTL1HSD11B1
SCHEMBL7529419 0.84 LMNA (0.59) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7522027 0.83 LMNA (0.46) LMNAKDM2BMEN1KMT2AHSD11B1
SCHEMBL7523356 0.83 MGLL (0.47) LMNAKDM2BMEN1KMT2AHSD11B1
SCHEMBL7520759 0.83 LMNA (0.49) LMNAMEN1KMT2AL3MBTL1HSD11B1
SCHEMBL7522191 0.82 POLB (0.44) LMNAHSD11B1ALDH1A1MGLL
SCHEMBL7524523 0.81 LMNA (0.45) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL7519944 0.80 ACHE (0.42) KMT2AL3MBTL1ALDH1A1TSHR
SCHEMBL7526647 0.79 MEN1 (0.42) MEN1KMT2AL3MBTL1HSD11B1ALDH1A1
SCHEMBL7523784 0.78 HTT (0.45) LMNAKDM2BMEN1KMT2AMGLL

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-1699455-B1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2013-05-08 EP disclosed