SCHEMBL19554272

SCHEMBL19554272

COC(=O)c1cc(C#N)c(OC(C)C)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
KDM4E B2RXH2 7/20 0.53
GAA P10253 4/20 0.44
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
XDH P47989 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ABL1 P00519 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 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
SCHEMBL19554281 0.88 KDM4E (0.51) LMNAKDM4EGAAALDH1A1HPGD
SCHEMBL16410988 0.85 KDM4E (0.68) LMNAKDM4EGAAALDH1A1HPGD
SCHEMBL19554334 0.81 KDM4E (0.53) LMNAKDM4EGAAALDH1A1HPGD
SCHEMBL1567762 0.81 KDM4E (0.54) LMNAKDM4EGAAALDH1A1HPGD
SCHEMBL2857865 0.80 KDM4E (0.78) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL24761763 0.79 KDM4E (0.53) LMNAKDM4EGAAALDH1A1HPGD
SCHEMBL19554257 0.78 GAA (0.59) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL3618785 0.78 GAA (0.52) LMNAKDM4EGAAALDH1A1HPGD
SCHEMBL16411016 0.77 KDM4E (0.50) LMNAKDM4EGAAALDH1A1HPGD
SCHEMBL2596458 0.77 GAA (0.60) LMNAKDM4EGAAALDH1A1HPGD

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