SCHEMBL14950864

SCHEMBL14950864

CCN(CC)c1ccc(C2C3=C(CC(c4ccccc4OC)CC3=O)Nc3ccccc3N2C(C)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
HSD17B10 Q99714 2/20 0.56
MEN1 O00255 6/20 0.56
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 3/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL14940021 0.94 KDM4E (0.57) KDM4EHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL14941598 0.92 MEN1 (0.58) KDM4EHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL14950947 0.89 MEN1 (0.70) KDM4EHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL14950838 0.89 MEN1 (0.70) KDM4EHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL14950833 0.88 MEN1 (0.64) KDM4EHSD17B10MEN1ALDH1A1MAPK1
SCHEMBL14950773 0.86 MEN1 (0.62) KDM4EHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL14950924 0.86 MEN1 (0.69) KDM4EHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL14940428 0.86 MEN1 (0.62) KDM4EHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL14941597 0.85 MEN1 (0.61) KDM4EHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL14941729 0.85 MEN1 (0.61) KDM4EHSD17B10MEN1ALDH1A1KMT2A

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