SCHEMBL27782800

SCHEMBL27782800

CCCCNC(=O)Nc1cccc(F)c1O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
EPHX2 P34913 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.52
EPHX1 P07099 7/20 0.49
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.47
USP2 O75604 1/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45

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
SCHEMBL4349349 0.96 EPHX2 (0.62) POLBEPHX2L3MBTL1SMN1; SMN2EPHX1
SCHEMBL27782813 0.83 SMN1; SMN2 (0.76) L3MBTL1SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL27782809 0.83 POLB (0.61) POLBEPHX2L3MBTL1SMN1; SMN2EPHX1
SCHEMBL11110593 0.81 POLB (0.81) POLBEPHX2L3MBTL1SMN1; SMN2EPHX1
SCHEMBL4127306 0.81 EPHX2 (0.68) POLBEPHX2L3MBTL1SMN1; SMN2EPHX1
SCHEMBL13136760 0.80 POLB (0.69) POLBEPHX2L3MBTL1SMN1; SMN2EPHX1
SCHEMBL4346935 0.80 ALDH1A1 (0.49) EPHX2SMN1; SMN2EPHX1HTTALDH1A1
SCHEMBL4350067 0.79 SMN1; SMN2 (0.70) EPHX2L3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL4351245 0.79 TRPV1 (0.58) SMN1; SMN2EPHX1MAPT
SCHEMBL4357568 0.79 EPHX1 (0.58) POLBEPHX2L3MBTL1EPHX1HTT

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
CN-100546977-C Suppress the new compound and the application thereof of rotamase JERINI AG (DE) 2009-10-07 CN claimed