SCHEMBL22743552

SCHEMBL22743552

Cn1nc(C(F)F)c(=O)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.34
ATM Q13315 1/20 0.34
PDE2A O00408 2/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL6767648 0.75 ATM (0.36) ATM
SCHEMBL12702610 0.72 DAO (0.38) DAOATMCYP3A4MAPK1PMP22
SCHEMBL22743701 0.72 ATM (0.35) DAOATM
SCHEMBL10105029 0.70 GRIA1 (0.42) DAOATML3MBTL1
SCHEMBL24419029 0.68 DAO (0.38) DAOATMGAACYP3A4MAPK1
SCHEMBL16131591 0.68 GRIA1 (0.41) DAOATMCYP3A4MAPK1PMP22
SCHEMBL13708317 0.68 GRIA1 (0.41) DAOATMCYP3A4MAPK1PMP22
SCHEMBL12603804 0.68 SQOR (0.42) DAOATMGAACYP3A4MAPK1
SCHEMBL15563493 0.68 DAO (0.38) DAOATMCYP3A4MAPK1PMP22
SCHEMBL22743640 0.68 DAO (0.34) DAOATMPDE2ACYP3A4MAPK1

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-2020239076-A1 PYRIDAZINONE DERIVATIVES AS THYROXINE RECEPTOR-Β AGONISTS AND APPLICATION THEREOF 南京明德新药研发有限公司 2020-12-03 WO disclosed