SCHEMBL6508236

SCHEMBL6508236

CNC1OCN(c2cccc(OC(F)F)c2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
KMT2A Q03164 3/20 0.36
TOP2A P11388 1/20 0.36
ATM Q13315 1/20 0.36
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
ROCK1 Q13464 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BACE1 P56817 2/20 0.35
CTSD P07339 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL6507723 0.85 DRD2 (0.42) ROCK2HCRTR1HCRTR2
SCHEMBL8096256 0.81 ROCK2 (0.39) ROCK2HCRTR1HCRTR2KMT2ATOP2A
SCHEMBL6508760 0.78 CA12 (0.45) KMT2AALDH1A1
SCHEMBL6510658 0.77 ROCK2 (0.53) ROCK2ROCK1
SCHEMBL8885582 0.73 DRD2 (0.42) ROCK2HCRTR1HCRTR2RXRAGRIN1
SCHEMBL8666490 0.72 KMT2A (0.35) ROCK2HCRTR1KMT2ATOP2AALDH1A1
SCHEMBL6512656 0.71 CYP1A2 (0.44) KMT2AALDH1A1
SCHEMBL9267232 0.71 LIPE (0.46)
SCHEMBL8554346 0.69 MCHR1 (0.40)
SCHEMBL8662936 0.69 MCHR1 (0.40)

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
WO-2005000824-A1 LAZOLIDINE DERIVATIVES AS HERBICIDAL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-06 WO disclosed