SCHEMBL4422288

SCHEMBL4422288

CCCCOC(=O)N(OC)c1ncncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
TSHR P16473 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2D6 P10635 3/20 0.36
NPC1 O15118 2/20 0.36
CYP2C9 P11712 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ESR1 P03372 2/20 0.36
MAPK1 P28482 2/20 0.36
NR1H2 P55055 1/20 0.36
RNASEL Q05823 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
STAT3 P40763 1/20 0.35

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
SCHEMBL15263575 0.88 LMNA (0.38) LMNAL3MBTL1TSHRTDP1ALDH1A1
SCHEMBL15263572 0.83 L3MBTL1 (0.43) LMNAL3MBTL1TSHRTDP1ALDH1A1
SCHEMBL7154191 0.83 ALDH1A1 (0.42) LMNAL3MBTL1TSHRTDP1ALDH1A1
SCHEMBL16568444 0.73 L3MBTL1 (0.39) LMNAL3MBTL1TSHRTDP1ALDH1A1
SCHEMBL7154192 0.71 ALDH1A1 (0.37) LMNAL3MBTL1TSHRTDP1ALDH1A1
SCHEMBL5265758 0.70 ALDH1A1 (0.42) LMNAL3MBTL1TSHRTDP1ALDH1A1
SCHEMBL11795523 0.70 ALDH1A1 (0.40) LMNAL3MBTL1TSHRALDH1A1CYP1A2
SCHEMBL7238236 0.69 LMNA (0.51) LMNAL3MBTL1TSHRTDP1ALDH1A1
SCHEMBL996720 0.68 L3MBTL1 (0.55) LMNAL3MBTL1TSHRALDH1A1CYP1A2
SCHEMBL5159308 0.67 MLYCD (0.36) NPC1

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-20090239435-A1 PROTECTIVE SUIT AND METHODS OF MANUFACTURE THEREOF GENERAL ELECTRIC COMPANY (US) 2009-09-24 US disclosed