SCHEMBL3786832

SCHEMBL3786832

CCOC(=O)Oc1cnn(C)c(=O)c1-c1c(C)ccc(Br)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.35
TNF P01375 1/20 0.34
LMNA P02545 2/20 0.34
ITGA4 P13612 6/20 0.33
ITGB7 P26010 6/20 0.33
ITGB1 P05556 1/20 0.32
PTGS1 P23219 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
TYMS P04818 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CRHBP P24387 1/20 0.31
CYP2C19 P33261 1/20 0.31
CRHR2 Q13324 1/20 0.31
BRD4 O60885 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
KMT2A Q03164 2/20 0.30
PKM P14618 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
SCHEMBL919618 0.81 L3MBTL1 (0.40) ITGA4ITGB7ITGB1SMN1; SMN2ALDH1A1
SCHEMBL919079 0.76 BRD9 (0.34) ITGA4ITGB7ITGB1PTGS1SMN1; SMN2
SCHEMBL9232485 0.69 KMT2A (0.44) CUL4ATNFLMNASMN1; SMN2TYMS
SCHEMBL7549073 0.66 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL1012712 0.66 KMT2A (0.39) CUL4ATNFLMNAITGA4ITGB7
SCHEMBL1012752 0.66 KMT2A (0.39) CUL4ATNFLMNATYMSALDH1A1
SCHEMBL1835094 0.63 TYMS (0.43) CUL4ATNFLMNATYMSALDH1A1
SCHEMBL1517574 0.61 MAPT (0.37) CUL4ALMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL2608092 0.61 ALDH1A1 (0.39) ALDH1A1CYP1A2
SCHEMBL10744400 0.61 TNF (0.39) CUL4ATNFSMN1; SMN2ALDH1A1CYP1A2

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
EP-2204366-A1 Herbicidal and insecticidal phenyl-substituted pyridazinones Bayer CropScience AG (DE) 2010-07-07 EP disclosed