SCHEMBL20127263

SCHEMBL20127263

O=C(OCOC(=O)c1ccc2ncccc2c1)c1ccc2ncccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.70
HTT P42858 1/20 0.70
PLK1 P53350 1/20 0.57
DOT1L Q8TEK3 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
NPC1 O15118 5/20 0.49
POLB P06746 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 5/20 0.47
BCAT1 P54687 1/20 0.47
PABPC1 P11940 1/20 0.47
GAA P10253 2/20 0.46

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
SCHEMBL828067 0.88 ALOX15 (0.71) ALOX15HTTPLK1DOT1LTAS1R3
SCHEMBL21816443 0.85 ALOX15 (0.63) ALOX15HTTPLK1DOT1LTAS1R3
SCHEMBL4982062 0.84 ALOX15 (0.62) ALOX15HTTPLK1DOT1LALDH1A1
SCHEMBL30464281 0.84 ALOX15 (0.62) ALOX15HTTPLK1DOT1LALDH1A1
SCHEMBL25294487 0.84 HTT (0.74) ALOX15HTTPLK1DOT1LTAS1R3
SCHEMBL14046318 0.83 ALOX15 (0.64) ALOX15HTTPLK1TAS1R3TAS1R1
SCHEMBL265015 0.83 ALOX15 (1.00) ALOX15HTTPLK1DOT1LTAS1R3
SCHEMBL30718649 0.83 ALOX15 (1.00) ALOX15HTTPLK1DOT1LTAS1R3
SCHEMBL25255693 0.83 HTT (0.72) ALOX15HTTPLK1DOT1LTAS1R3
SCHEMBL27928930 0.81 ALOX15 (0.97) ALOX15HTTPLK1DOT1LTAS1R3

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-20180127543-A1 ORGANIC FLUORINE COMPOUND AND LUBRICANT SHOWA DENKO K.K. (JP) 2018-05-10 US disclosed