SCHEMBL29021583

SCHEMBL29021583

CCS(=O)(=O)N(C)OC(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.33
CES1 P23141 6/20 0.33
CES2 O00748 5/20 0.33
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5344964 0.71 MLYCD (0.37) FAAHCES1CES2MEN1CYP1A2
SCHEMBL3944363 0.71 KDM6B (0.36)
SCHEMBL7024069 0.71 FAAH (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28708698 0.70 MLYCD (0.33) FAAHCES1CES2MEN1CYP1A2
Ammonia Solution, Strong SCHEMBL28860981 0.69 KDM6B (0.34)
SCHEMBL31211614 0.68 FAAH (0.36) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28778447 0.68 FAAH (0.44) FAAHCES1CES2MEN1CYP1A2
SCHEMBL3928482 0.68 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL7704491 0.66
SCHEMBL577250 0.66 FAAH (0.33) FAAHCES1CES2MEN1CYP1A2

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-116096710-A 4-oxo-3, 4-dihydroquinazolinone compounds for the treatment of BRAF related diseases and disorders 阿雷生物药品公司 2023-05-09 CN disclosed