SCHEMBL19658994

SCHEMBL19658994

CCOC(=O)c1ncc2n1CC(C(F)(F)F)OC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.33
CSNK1D P48730 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 2/20 0.33
CHEK1 O14757 1/20 0.33
CHEK2 O96017 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL18377672 0.83 RIPK1 (0.44) KDM4EKMT2AALDH1A1CSNK1DL3MBTL1
SCHEMBL18365749 0.81 RIPK1 (0.33) RIPK1
SCHEMBL30092748 0.74 KDM4E (0.34) KDM4EKMT2AALDH1A1CSNK1DL3MBTL1
SCHEMBL18372237 0.72 RIPK1 (0.42) KDM4EKMT2AALDH1A1CSNK1DL3MBTL1
SCHEMBL18377671 0.70 CYP19A1 (0.38) KDM4EKMT2AALDH1A1CSNK1DL3MBTL1
SCHEMBL18372493 0.69 CYP19A1 (0.35) KDM4EKMT2AALDH1A1CSNK1DL3MBTL1
SCHEMBL29080952 0.69 KDM4E (0.36) KDM4EKMT2AALDH1A1CSNK1DL3MBTL1
SCHEMBL18039533 0.68 POLB (0.45) KDM4EKMT2AALDH1A1HSD17B10TP53
SCHEMBL16224777 0.67 HDAC4 (0.38) KDM4EKMT2AL3MBTL1TP53HDAC4
SCHEMBL16516929 0.67 MEN1 (0.44) KDM4EKMT2AALDH1A1HSD17B10TP53

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-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed