SCHEMBL29080952

SCHEMBL29080952

CCOC(=O)c1ncc2n1CC(C(F)C(F)F)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ELANE P08246 3/20 0.34
CYP19A1 P11511 2/20 0.33
JAK3 P52333 4/20 0.33
JAK1 P23458 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CSNK1D P48730 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
MAP3K13 O43283 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
SCHEMBL18372493 0.87 CYP19A1 (0.35) KDM4EHSD17B10ELANECYP19A1ALDH1A1
SCHEMBL18372237 0.81 RIPK1 (0.42) KDM4EHSD17B10ELANECYP19A1ALDH1A1
SCHEMBL18377671 0.79 CYP19A1 (0.38) KDM4EHSD17B10ELANECYP19A1JAK3
SCHEMBL30092748 0.77 KDM4E (0.34) KDM4EHSD17B10ELANECYP19A1ALDH1A1
SCHEMBL18039533 0.72 POLB (0.45) KDM4EHSD17B10CYP19A1ALDH1A1MEN1
SCHEMBL16516929 0.71 MEN1 (0.44) KDM4EHSD17B10CYP19A1ALDH1A1MEN1
SCHEMBL18377672 0.70 RIPK1 (0.44) KDM4EHSD17B10ALDH1A1CSNK1DL3MBTL1
SCHEMBL30236179 0.70 IDO1 (0.35) KDM4EHSD17B10ELANEALDH1A1MEN1
SCHEMBL19658994 0.69 KDM4E (0.34) KDM4EHSD17B10CYP19A1ALDH1A1CSNK1D
SCHEMBL18372534 0.69 RIPK1 (0.34)

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
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed