SCHEMBL14950772

SCHEMBL14950772

CCN(CC)c1ccc(C2C3=C(CC(c4ccc(N5CCOCC5)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 6/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL14950833 0.90 MEN1 (0.64) MEN1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14950924 0.88 MEN1 (0.69) MEN1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14950773 0.88 MEN1 (0.62) MEN1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14940428 0.88 MEN1 (0.62) MEN1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14941597 0.87 MEN1 (0.61) MEN1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14941729 0.87 MEN1 (0.61) MEN1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14940550 0.86 MEN1 (0.40) MEN1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14950947 0.86 MEN1 (0.70) MEN1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14950838 0.86 MEN1 (0.70) MEN1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14940577 0.85 MEN1 (0.60) MEN1ALDH1A1KDM4EHSD17B10MAPT

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-2013068592-A1 INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE FONDATION JEROME LEJEUNE (FR) 2013-05-16 WO disclosed