SCHEMBL28869628

SCHEMBL28869628

Cc1ccccc1CNC(=O)C1COc2ccccc2C1.NC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.49
MAOB P27338 2/20 0.45
LMNA P02545 2/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
CCR2 P41597 1/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL28869623 0.91 TP53 (0.52) TP53MAOBLMNATDP1
SCHEMBL28869625 0.83 TP53 (0.52) TP53MAOBLMNATDP1
SCHEMBL30098366 0.83 TP53 (0.67) TP53MAOBLMNATDP1
SCHEMBL30098384 0.77 TP53 (0.60) TP53MAOBTDP1
SCHEMBL28869579 0.76 TP53 (0.48) TP53MAOBLMNAMAPTTDP1
SCHEMBL30098374 0.75 TP53 (0.73) TP53MAPTTDP1
SCHEMBL30098385 0.73 TP53 (0.64) TP53MAOBMAPTTDP1
SCHEMBL30098365 0.71 TP53 (0.70) TP53MAOBMAPT
SCHEMBL30098399 0.71 HPGD (0.65) TP53LMNA
SCHEMBL5358064 0.70 LMNA (0.57) TP53LMNAMAPTTDP1

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-115093389-A 6-amide chroman-3-formamide derivative and preparation method and application thereof 广州医科大学 2022-09-23 CN disclosed