SCHEMBL19554257

SCHEMBL19554257

COC(=O)c1cc(Cl)c(OC(C)C)cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
KDM4E B2RXH2 5/20 0.57
ABL1 P00519 1/20 0.50
HTT P42858 1/20 0.45
RORC P51449 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CFTR P13569 3/20 0.41
ULK1 O75385 1/20 0.41
NQO2 P16083 2/20 0.40
CSNK2A1 P68400 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL22987085 0.88 GAA (0.72) GAAKDM4EABL1HTTALDH1A1
SCHEMBL2617488 0.88 GAA (0.44) GAAKDM4EABL1RORCALDH1A1
SCHEMBL2617486 0.84 ALDH1A1 (0.48) GAAKDM4ERORCALDH1A1HPGD
SCHEMBL2617461 0.84 GAA (0.41) GAAKDM4EABL1RORCCSNK2A1
SCHEMBL7853424 0.84 GAA (0.76) GAAKDM4EABL1HTTALDH1A1
SCHEMBL3661787 0.83 HTT (0.46) GAAABL1HTTRORCHPGD
SCHEMBL2857865 0.83 KDM4E (0.78) GAAKDM4EABL1HTTALDH1A1
SCHEMBL1786323 0.82 GAA (0.51) GAAKDM4EABL1HTTRORC
SCHEMBL1884944 0.80 GAA (0.64) GAAKDM4EABL1HTTALDH1A1
SCHEMBL8066375 0.79 RORC (0.44) GAAKDM4EHTTRORCALDH1A1

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
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed