SCHEMBL3475974

SCHEMBL3475974

Cn1cc(C(=O)NC2(F)C=CC=CC2c2ccc(F)cc2)c(C(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
ACACB O00763 1/20 0.33
IRAK4 Q9NWZ3 14/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
KLKB1 P03952 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
SCHEMBL1836373 0.89 MAOA (0.32) ACACBIRAK4
SCHEMBL4539515 0.85 LMNA (0.43) ALDH1A1CYP1A2GAACYP2C9IRAK4
SCHEMBL4565834 0.80 LMNA (0.36) ALDH1A1GAAACACBIRAK4SMN1; SMN2
SCHEMBL16417101 0.74 LMNA (0.41) CYP1A2GAACYP2C9KLKB1
SCHEMBL28350664 0.73 ACACB (0.33) ACACBIRAK4KLKB1
SCHEMBL4743205 0.73 PTGS2 (0.33)
SCHEMBL28350686 0.72 ACACB (0.33) ACACBIRAK4KLKB1
SCHEMBL15561466 0.71 ALDH1A1 (0.54) ALDH1A1CYP1A2GAACYP2C9SMN1; SMN2
SCHEMBL28348099 0.71 ACACB (0.32) ACACB
SCHEMBL15213230 0.70 TLR2 (0.43) ACACB

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
WO-2010029067-A2 METHOD FOR INCREASING THE NUMBER OF SEEDLINGS PER NUMBER OF SOWED GRAINS OF SEED BASF SE (DE) 2010-03-18 WO disclosed
WO-2009147205-A2 SYNERGISTIC FUNGICIDAL MIXTURES BASF SE (DE) 2009-12-10 WO disclosed