SCHEMBL2946349

SCHEMBL2946349

COC1=CC(N2CCOCC2)=CC[CH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 3/20 0.35
TDP2 O95551 1/20 0.35
MAPK1 P28482 3/20 0.34
HTT P42858 3/20 0.33
PDE10A Q9Y233 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
STAT3 P40763 1/20 0.33
MEN1 O00255 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
CNR2 P34972 1/20 0.31

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
SCHEMBL3034338 0.88 TSHR (0.37) MAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3033304 0.85 ALDH1A1 (0.45) KMT2AHTTSMN1; SMN2MAPTL3MBTL1
SCHEMBL3031209 0.83 GAA (0.40) CYP2C19KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3412865 0.74 LMNA (0.34) KMT2AMAPK1HTTSMN1; SMN2MAPT
SCHEMBL5069635 0.74 LMNA (0.34) KMT2AMAPK1HTTSMN1; SMN2MAPT
SCHEMBL3030864 0.72 PIM1 (0.36) ALDH1A1
SCHEMBL3039262 0.72 ALDH1A1 (0.37) L3MBTL1KDM4EALDH1A1
SCHEMBL1906001 0.70 LMNA (0.36) KMT2AHTTMAPTL3MBTL1KDM4E
SCHEMBL17024319 0.67
SCHEMBL2944560 0.66 ALDH1A1 (0.41) CYP2C19HTTSMN1; SMN2MAPTL3MBTL1

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed
EP-2727909-A1 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2014-05-07 EP disclosed