SCHEMBL4041207

SCHEMBL4041207

CN1C(=O)C(Cc2ccccc2)NC12CCN(SC(=O)O)CC2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.38
PLA2G5 P39877 2/20 0.38
CXCR3 P49682 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL4041320 0.86 PLA2G10 (0.38) PLA2G10PLA2G5CXCR3ALDH1A1LMNA
SCHEMBL4034900 0.85 CXCR3 (0.40) CXCR3ALDH1A1LMNAHDAC8GAA
SCHEMBL10326470 0.81 PLA2G10 (0.45) PLA2G10PLA2G5CXCR3ALDH1A1HDAC8
SCHEMBL10326656 0.81 PLA2G10 (0.45) PLA2G10PLA2G5CXCR3ALDH1A1HDAC8
SCHEMBL10327298 0.81 PLA2G10 (0.45) PLA2G10PLA2G5CXCR3ALDH1A1HDAC8
SCHEMBL3917588 0.81 PLA2G10 (0.39) PLA2G10PLA2G5CXCR3ALDH1A1HDAC8
SCHEMBL4038603 0.79 ATM (0.42) CXCR3ALDH1A1LMNAKMT2AMEN1
SCHEMBL1801279 0.79 ALDH1A1 (0.39) PLA2G10PLA2G5ALDH1A1LMNAKMT2A
SCHEMBL4034635 0.79 HDAC8 (0.35) ALDH1A1HDAC8KMT2AGAA
SCHEMBL1803072 0.78 GRM5 (0.48) ALDH1A1TACR1

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-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed