SCHEMBL1937006

SCHEMBL1937006

CCn1ccnc1OC(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
FPR2 P25090 4/20 0.34
MAPT P10636 2/20 0.33
FDPS P14324 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
ESR1 P03372 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
ACHE P22303 1/20 0.32
LPO P22079 3/20 0.32

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
SCHEMBL1681999 0.83 SMN1; SMN2 (0.37) SMN1; SMN2MAPTALDH1A1KMT2AKDM4E
SCHEMBL1936870 0.81 SMN1; SMN2 (0.36) SMN1; SMN2FPR2MAPTALDH1A1KMT2A
SCHEMBL2285950 0.81 KMT2A (0.39) SMN1; SMN2FDPSALDH1A1KMT2AKDM4E
SCHEMBL8536744 0.78 ARG1 (0.32) SMN1; SMN2MAPTALDH1A1ESR1KDM4E
SCHEMBL8307092 0.77 HSP90AA1 (0.45) SMN1; SMN2KDM4E
SCHEMBL27449039 0.76 MAPT (0.35) SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL1829860 0.74 ALDH1A1 (0.47) SMN1; SMN2MAPTALDH1A1KMT2AKDM4E
SCHEMBL4867589 0.72
SCHEMBL1681801 0.72 FPR2 (0.33) SMN1; SMN2FPR2MAPTALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL15377959 0.71 FDPS (0.47) SMN1; SMN2FDPSALDH1A1KMT2AESR1

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
EP-2331672-A1 METHOD FOR CLEANING SURFACES USING A PROTIC IONIC LIQUID IFP Energies nouvelles (FR) 2011-06-15 EP disclosed
WO-2010040917-A1 METHOD FOR CLEANING SURFACES USING A PROTIC IONIC LIQUID IFP (FR) 2010-04-15 WO disclosed