SCHEMBL3680102

SCHEMBL3680102

CO/N=C/c1ccc(-c2ccccc2NC(=O)c2cnn(C)c2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
WDR5 P61964 1/20 0.39
DHX9 Q08211 1/20 0.38
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL10213365 0.84 ATM (0.48) CHRM3LMNAALDH1A1KDM4ERAB9A
SCHEMBL4765101 0.82 CHRM3 (0.42) CHRM3LMNAHPGDWDR5ALDH1A1
SCHEMBL343589 0.82 CHRM3 (0.39) CHRM3LMNAALDH1A1KDM4E
SCHEMBL343590 0.82 CHRM3 (0.39) CHRM3LMNAALDH1A1KDM4E
SCHEMBL343328 0.81 NTRK1 (0.43) CHRM3LMNAWDR5ALDH1A1KDM4E
SCHEMBL343329 0.81 NTRK1 (0.43) CHRM3LMNAWDR5ALDH1A1KDM4E
SCHEMBL30440192 0.81 CHRM3 (0.52) CHRM3LMNAHPGDWDR5DHX9
SCHEMBL2787276 0.81 CHRM3 (0.52) CHRM3LMNAHPGDWDR5DHX9
SCHEMBL5110582 0.80 CHRM3 (0.38) CHRM3LMNAALDH1A1KDM4ERAB9A
SCHEMBL5110576 0.80 CHRM3 (0.38) CHRM3LMNAALDH1A1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2263462-A1 Agent combinations Bayer CropScience AG (DE) 2010-12-22 EP disclosed
EP-2260709-A1 Agent combinations Bayer CropScience AG (DE) 2010-12-15 EP disclosed
EP-2255654-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP disclosed