SCHEMBL29531900

SCHEMBL29531900

CCOC(=O)c1cnc2ccc(C(F)(F)F)nc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
DYRK1A Q13627 6/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
ATM Q13315 2/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 2/20 0.42
FOS P01100 2/20 0.42
JUN P05412 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MELK Q14680 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL29531984 0.87 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3786466 0.84 TSHR (0.46) KDM4EDYRK1AALDH1A1SMN1; SMN2MAPT
SCHEMBL3373163 0.83 DYRK1A (0.47) KDM4EDYRK1AALDH1A1SMN1; SMN2MAPT
SCHEMBL29531806 0.83 KDM4E (0.45) KDM4EDYRK1AALDH1A1SMN1; SMN2MAPT
SCHEMBL7920183 0.81 MAPK1 (0.46) KDM4EDYRK1AALDH1A1SMN1; SMN2MAPT
SCHEMBL8326859 0.81 DYRK1A (0.45) KDM4EDYRK1AALDH1A1SMN1; SMN2MAPT
SCHEMBL8327180 0.81 DYRK1A (0.45) KDM4EDYRK1AALDH1A1SMN1; SMN2MAPT
SCHEMBL6286366 0.81 DYRK1A (0.50) KDM4EDYRK1AALDH1A1SMN1; SMN2MAPT
SCHEMBL29810202 0.81 DYRK1A (0.50) KDM4EDYRK1AALDH1A1SMN1; SMN2MAPT
SCHEMBL29810196 0.81 MAPK1 (0.46) KDM4EDYRK1AALDH1A1SMN1; SMN2MAPT

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-2022081995-A1 MALT1 MODULATORS AND USES THEREOF RHEOS MEDICINES, INC. (US) 2022-04-21 WO disclosed