SCHEMBL14940673

SCHEMBL14940673

CCN(CC)c1ccc(C2C3=C(CC(c4ccc(O)cc4)CC3=O)Nc3ccccc3N2C(C)=O)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 6/20 0.48
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.40
USP2 O75604 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
SCHEMBL14941553 0.92 ALDH1A1 (0.63) MEN1ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL14950773 0.90 MEN1 (0.62) MEN1ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL14950836 0.89 MEN1 (0.54) MEN1ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL14941724 0.87 ALDH1A1 (0.59) MEN1ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL14940559 0.86 ALDH1A1 (0.63) MEN1ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL14950867 0.85 ALDH1A1 (0.57) MEN1ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL14950924 0.85 MEN1 (0.69) MEN1ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL14950833 0.84 MEN1 (0.64) MEN1ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL14940428 0.83 MEN1 (0.62) MEN1ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL14941614 0.83 ALDH1A1 (0.61) MEN1ALDH1A1KDM4EMAPK1HSD17B10

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
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
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