SCHEMBL20140713

SCHEMBL20140713

CCOC(=O)c1cc(C=O)c(C)nc1C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
ALDH1A1 P00352 5/20 0.57
ALOX15 P16050 1/20 0.56
TSHR P16473 2/20 0.55
HPGD P15428 3/20 0.54
HSD17B10 Q99714 2/20 0.51
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 1/20 0.46
POLB P06746 1/20 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
SCHEMBL9205477 0.87 TSHR (0.49) KDM4EALDH1A1ALOX15TSHRHPGD
SCHEMBL2301745 0.86 KDM4E (0.77) KDM4EALDH1A1ALOX15TSHRHPGD
SCHEMBL7598160 0.79 KDM4E (0.69) KDM4EALDH1A1ALOX15TSHRHPGD
SCHEMBL11470029 0.79 KDM4E (0.69) KDM4EALDH1A1ALOX15TSHRHPGD
SCHEMBL30531237 0.79 KDM4E (0.69) KDM4EALDH1A1ALOX15TSHRHPGD
SCHEMBL16387742 0.79 KDM4E (0.64) KDM4EALDH1A1ALOX15TSHRHPGD
SCHEMBL14459600 0.78 KDM4E (0.71) KDM4EALDH1A1ALOX15TSHRHPGD
SCHEMBL20472390 0.78 KDM4E (0.62) KDM4EALDH1A1ALOX15TSHRHPGD
SCHEMBL29786432 0.78 KDM4E (0.62) KDM4EALDH1A1ALOX15TSHRHPGD
SCHEMBL18386312 0.77 CA12 (0.54) KDM4ETSHRKMT2AMAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed