SCHEMBL29199146

SCHEMBL29199146

Cn1cc(C(=O)Nc2ccccc2CO)c(C(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
IRAK4 Q9NWZ3 8/20 0.42
NHERF1 O14745 1/20 0.41
CHRM1 P11229 2/20 0.40
LMNA P02545 2/20 0.40
NTRK1 P04629 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
DHODH Q02127 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
SCHEMBL3759446 0.86 ATM (0.45) ATMIRAK4LMNATP53RXFP1
SCHEMBL169389 0.85 ATM (0.44) ATMIRAK4DHODH
SCHEMBL30753925 0.85 ATM (0.44) ATMIRAK4DHODH
SCHEMBL28999700 0.85 ATM (0.50) ATMIRAK4LMNA
SCHEMBL18117491 0.85 ATM (0.53) ATMALDH1A1HPGDIRAK4LMNA
SCHEMBL27716556 0.85 ATM (0.46) ATMALDH1A1IRAK4LMNATP53
SCHEMBL1085490 0.84 ALDH1A1 (0.50) ATMALDH1A1IRAK4LMNA
SCHEMBL28348101 0.84 ATM (0.49) ATMIRAK4LMNADHODH
SCHEMBL12393703 0.84 ATM (0.49) ATMIRAK4LMNA
SCHEMBL31475430 0.84 ATM (0.69) ATMALDH1A1HPGDIRAK4LMNA

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-117904056-A Hybridoma cell strain secreting SDHI (sodium dodecyl sulfate) bactericide monoclonal antibody and application thereof 江南大学 2024-04-19 CN disclosed