SCHEMBL27737488

SCHEMBL27737488

CCc1ccccc1-c1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
LMNA P02545 2/20 0.55
ATM Q13315 1/20 0.46
STING1 Q86WV6 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
IRAK4 Q9NWZ3 6/20 0.41
NTRK1 P04629 1/20 0.40
DHODH Q02127 1/20 0.40
NR3C1 P04150 1/20 0.39

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
SCHEMBL4100577 0.92 LMNA (0.54) POLBLMNAATMSTING1GAA
SCHEMBL21063360 0.91 LMNA (0.53) POLBLMNAATMSTING1GAA
SCHEMBL13936356 0.87 LMNA (0.56) POLBLMNAATMSTING1GAA
SCHEMBL303186 0.87 LMNA (0.56) POLBLMNAATMSTING1GAA
SCHEMBL29369397 0.87 LMNA (0.56) POLBLMNAATMSTING1GAA
SCHEMBL122740 0.87 LMNA (0.56) POLBLMNAATMSTING1GAA
SCHEMBL302989 0.86 POLB (0.61) POLBLMNAATMSTING1GAA
SCHEMBL1085471 0.86 LMNA (0.57) POLBLMNAATMIRAK4NTRK1
SCHEMBL3764560 0.85 LMNA (0.58) POLBLMNAATMSTING1GAA
SCHEMBL29390999 0.84 LMNA (0.53) POLBLMNAATMSTING1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101262764-A Fungicide mixtures based on 1-methyl-pyrazol-4-yl carboxylic acid anilides BASF SE (DE) 2008-09-10 CN claimed
CN-101262764-A Fungicide mixtures based on 1-methyl-pyrazol-4-yl carboxylic acid anilides BASF SE (DE) 2008-09-10 CN disclosed