SCHEMBL8735259

SCHEMBL8735259

Cc1ccc(NC(C)(C)C)c(C(N)=O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 3/20 0.43
PTGS2 P35354 5/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TTR P02766 2/20 0.35
MAPK1 P28482 2/20 0.35
AKR1B10 O60218 1/20 0.35
ABCB11 O95342 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
FABP2 P12104 1/20 0.35
RXRA P19793 1/20 0.35
TBXA2R P21731 1/20 0.35
NR4A1 P22736 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
AKR1C3 P42330 1/20 0.35
NR4A2 P43354 1/20 0.35
AKR1C2 P52895 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
SCHEMBL8732726 0.85 CLCN2 (0.40) CLCN2PTGS2POLBMEN1KMT2A
SCHEMBL8735058 0.85 CLCN2 (0.40) CLCN2PTGS2POLBMEN1KMT2A
SCHEMBL8730848 0.83 CLCN2 (0.41) CLCN2PTGS2POLBMEN1KMT2A
SCHEMBL8734969 0.77 PTGS2 (0.41) PTGS2POLBKMT2AALDH1A1RAB9A
SCHEMBL8732709 0.75 HPGD (0.49) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL4640149 0.73 CLCN2 (0.47) CLCN2PTGS2POLBMEN1KMT2A
SCHEMBL8468822 0.71 IDO1 (0.47) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL8735080 0.71 CDC7 (0.37) CLCN2PTGS2POLBMEN1KMT2A
SCHEMBL8730869 0.71 CDC7 (0.37) CLCN2POLBMEN1KMT2AMAPK1
SCHEMBL4026715 0.70 POLB (0.42) CLCN2POLBMAPK1ALDH1A1GAA

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-0749416-B1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO CO (US) 1998-12-23 EP disclosed