SCHEMBL28054590

SCHEMBL28054590

CC(C)Sc1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MERTK Q12866 1/20 0.44
HTT P42858 1/20 0.44
TXNRD1 Q16881 5/20 0.41
GSR P00390 3/20 0.41
FGFR4 P22455 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.37
VCAM1 P19320 1/20 0.37
GLP1R P43220 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 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
SCHEMBL31030224 0.81 MERTK (0.48) MAPTMERTKHTTTXNRD1GSR
SCHEMBL2272996 0.77 MAPT (0.48) MAPTMERTKHTTTXNRD1GSR
SCHEMBL18508375 0.74 MEN1 (0.49) MAPTMERTKHTTFGFR4TDP1
SCHEMBL18497220 0.73 MEN1 (0.62) MAPTMERTKHTTTXNRD1GSR
SCHEMBL18508428 0.73 MEN1 (0.51) MAPTMERTKTXNRD1GSRFGFR4
SCHEMBL10699810 0.73 ALDH1A1 (0.49) MAPTMERTKHTTTXNRD1FGFR4
SCHEMBL28358902 0.72 MEN1 (0.54) MAPTHTTL3MBTL1TDP1POLB
SCHEMBL28054769 0.72 TXNRD1 (0.39) TXNRD1GSRL3MBTL1ALDH1A1
SCHEMBL381701 0.72 MERTK (0.51) MAPTMERTKHTTTXNRD1GSR
SCHEMBL29392605 0.72 MERTK (0.51) MAPTMERTKHTTTXNRD1GSR

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
CN-105254558-A Dichloroallyl ether compound, preparation method and applications thereof HUNAN CHEMICAL INDUSTRY INST CO LTD 2016-01-20 CN disclosed