SCHEMBL2299378

SCHEMBL2299378

OC1CN(CN2CCOCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.39
GAA P10253 2/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KEAP1 Q14145 1/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.33
DUSP3 P51452 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
SCHEMBL1867738 0.85 HRH3 (0.38) USP2KDM4EALDH1A1HSD17B10GAA
SCHEMBL536772 0.80 USP2 (0.50) USP2KDM4EALDH1A1HSD17B10GAA
SCHEMBL2299301 0.78 ALDH1A1 (0.37) KDM4EALDH1A1TSHRSMN1; SMN2CYP2C9
SCHEMBL34472404 0.72 USP2 (0.44) USP2KDM4EALDH1A1HSD17B10GAA
SCHEMBL10447084 0.72 HRH3 (0.47) USP2KDM4EALDH1A1HSD17B10GAA
SCHEMBL949341 0.70 HRH3 (0.50) USP2KDM4EALDH1A1HSD17B10GAA
SCHEMBL15415852 0.70 HRH3 (0.36) USP2KDM4EALDH1A1HSD17B10GAA
SCHEMBL24801728 0.68 DRD3 (0.36) USP2KDM4EALDH1A1HSD17B10GAA
SCHEMBL22550897 0.68 ACHE (0.42) USP2KDM4EALDH1A1GAATSHR
SCHEMBL23273615 0.68 KEAP1 (0.40) USP2KDM4EALDH1A1HSD17B10GAA

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
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US claimed